Hydrochloric Acid

Hydrochloric Acid

SCHEMBL356162

COc1ccc(CS(=O)(=O)C(C)(C)[C@H](N)C(=O)N2C[C@@H](F)C[C@H]2C#N)cc1.Cl

nearest known ligand 0.98

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 known ✓ P27487 20/20 0.98
FAP Q12884 9/20 0.80
DPP7 Q9UHL4 3/20 0.77
DPP8 Q6V1X1 1/20 0.67
DPP9 Q86TI2 1/20 0.67

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL295498 1.00 DPP4 (0.98) DPP4FAPDPP7DPP8DPP9
SCHEMBL3165078 0.99 DPP4 (1.00) DPP4FAPDPP7DPP8DPP9
SCHEMBL6832198 0.99 DPP4 (1.00) DPP4FAPDPP7DPP8DPP9
SCHEMBL6860819 0.99 DPP4 (1.00) DPP4FAPDPP7DPP8DPP9
SCHEMBL5987446 0.99 DPP4 (1.00) DPP4FAPDPP7DPP8DPP9
Hydrochloric Acid SCHEMBL3259953 0.90 DPP4 (0.98) DPP4FAPDPP7DPP8DPP9
Hydrochloric Acid SCHEMBL3151403 0.90 DPP4 (0.98) DPP4FAPDPP7DPP8DPP9
Hydrochloric Acid SCHEMBL3151253 0.90 DPP4 (0.98) DPP4FAPDPP7
SCHEMBL3160316 0.89 DPP4 (1.00) DPP4FAPDPP7DPP8DPP9
Hydrochloric Acid SCHEMBL5549130 0.89 DPP4 (0.98) DPP4FAPDPP7DPP8DPP9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1862457-B1 Fluoropyrrolidines as dipeptidyl peptidase inhibitors SMITHKLINE BEECHAM CORP (US) 2010-01-20 EP claimed
EP-1862457-A2 Fluoropyrrolidines as dipeptidyl peptidase inhibitors SmithKline Beecham Corporation (US) 2007-12-05 EP claimed
US-20040171848-A1 Fluoropyrrolidines as dipeptidyl peptidase inhibitors SMITHKLINE BEECHAM CORPORATION 2004-09-02 US claimed
EP-3023095-B2 DIRECT COMPRESSION FORMULATION AND PROCESS NOVARTIS AG (CH) 2023-11-08 EP disclosed
EP-3738585-A1 DIRECT COMPRESSION FORMULATION AND PROCESS NOVARTIS AG (CH) 2020-11-18 EP disclosed
EP-2839832-A2 Use of dipeptidyl peptidase IV inhibitors Novartis AG (CH) 2015-02-25 EP disclosed
US-20140287040-A1 Formulation NOVARTIS AG (CH) 2014-09-25 US disclosed
US-20140205663-A1 Direct Compression Formulation and Process NOVARTIS AG (CH) 2014-07-24 US disclosed
US-20130052239-A1 Formulation JOSHI YATINDRA (US) 2013-02-28 US disclosed
US-20120294939-A1 DIRECT COMPRESSION FORMULATION AND PROCESS KOWALSKI JAMES (US) 2012-11-22 US disclosed
US-20120149639-A1 USE OF A DPP-IV INHIBITOR TO REDUCE HYPOGLYCEMIC EVENTS BALKAN BOERK (US) 2012-06-14 US disclosed
US-20080038341-A1 Free-flowing, cohesive tableting powder for direct compressed tablet; DPP-IV inhibitor and glitazone, in unit dosage form; acceptable dissolution profile; acceptable degrees of hardness, resistance to chipping, short disintegration time KOWALSKI JAMES 2008-02-14 US disclosed
EP-1862457-A2 Fluoropyrrolidines as dipeptidyl peptidase inhibitors SmithKline Beecham Corporation (US) 2007-12-05 EP disclosed
US-20070254944-A1 Use of Organic Compounds NOVARTIS AG (CH) 2007-11-01 US disclosed
EP-1406873-B1 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-09-26 EP disclosed
US-20070149451-A1 Combination of a dpp IV inhibitor and an antiobesity or appetite regulating agent HOLMES DAVID G 2007-06-28 US disclosed
US-20070066677-A1 (2S,4s)-4-fluoro-1-[4-fluoro-beta-(4-fluorophenyl)-I-phenylalanyl]-2-pyrrolidinecarbonitrile p-toluenesulfonic acid salt and anhydrous crystalline forms thereof SMITHKLINE BEECHAM CORPORATION 2007-03-22 US disclosed
US-7132443-B2 Fluoropyrrolidines as dipeptidyl peptidase inhibitors SMITHKLINEBEECHAM CORPORATION (US) 2006-11-07 US disclosed
US-20060210627-A1 Direct compression formulation and process PFEFFER SABINE 2006-09-21 US disclosed
US-20040171848-A1 Fluoropyrrolidines as dipeptidyl peptidase inhibitors SMITHKLINE BEECHAM CORPORATION 2004-09-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070149451-A1 Combination of a dpp IV inhibitor and an antiobesity or appetite regulating agent GIPR, DPP4, MC4R DPP4 2/4885FAP 725/4885DPP7 9/4885
US-20080038341-A1 Free-flowing, cohesive tableting powder for direct compressed tablet; DPP-IV inhibitor and glitazone, in unit dosage form; acceptable dissolution profile; acceptable degrees of hardness, resistance to chipping, short disintegration time DPP4, DPP3, DPP7 DPP4 1/4885FAP 207/4885DPP7 3/4885
US-20040171848-A1 Fluoropyrrolidines as dipeptidyl peptidase inhibitors DPP4, DPP3, DPP7 DPP4 1/4885FAP 13/4885DPP7 3/4885
US-20070066677-A1 (2S,4s)-4-fluoro-1-[4-fluoro-beta-(4-fluorophenyl)-I-phenylalanyl]-2-pyrrolidinecarbonitrile p-toluenesulfonic acid salt and anhydrous crystalline forms thereof PFAS, TTR, PNN DPP4 283/4885FAP 28/4885DPP7 943/4885
US-20140205663-A1 Direct Compression Formulation and Process DPP4, DPP3, DPP7 DPP4 1/4885FAP 97/4885DPP7 3/4885
US-20070254944-A1 Use of Organic Compounds DPP4, DPP8, DPP3 DPP4 1/4885FAP 97/4885DPP7 4/4885
US-20140287040-A1 Formulation DPP4, DPP3, DPP7 DPP4 1/4885FAP 22/4885DPP7 3/4885
US-20130052239-A1 Formulation DPP4, DPP3, DPP7 DPP4 1/4885FAP 22/4885DPP7 3/4885
US-20120294939-A1 DIRECT COMPRESSION FORMULATION AND PROCESS DPP4, DPP3, DPP7 DPP4 1/4885FAP 97/4885DPP7 3/4885
US-20120149639-A1 USE OF A DPP-IV INHIBITOR TO REDUCE HYPOGLYCEMIC EVENTS DPP4, DPP3, DPP7 DPP4 1/4885FAP 135/4885DPP7 3/4885
US-20060210627-A1 Direct compression formulation and process DPP4, DPP3, DPP7 DPP4 1/4885FAP 131/4885DPP7 3/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.