Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3366424

CCOC(=O)[C@@H](N)CSCc1ccccc1.Cl

nearest known ligand 0.59

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 16)

geneUniProtsupporting neighboursconfidence
MMP8 known ✓ P22894 1/20 0.43
PPARG known ✓ P37231 1/20 0.41
ACE known ✓ P12821 1/20 0.41
METAP2 P50579 1/20 0.59
IDO1 P14902 2/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PIN1 Q13526 1/20 0.45
ELANE P08246 1/20 0.45
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP2C9 P11712 1/20 0.43
PPARA Q07869 1/20 0.41
CYP2C19 P33261 1/20 0.41

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 SCHEMBL7323488 1.00 METAP2 (0.59) METAP2IDO1NPC1RAB9ASMN1; SMN2
SCHEMBL7323491 0.98 METAP2 (0.60) METAP2IDO1NPC1RAB9ASMN1; SMN2
SCHEMBL2238552 0.98 METAP2 (0.60) METAP2IDO1NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7317995 0.87 METAP2 (0.46) METAP2IDO1NPC1RAB9ASMN1; SMN2
SCHEMBL10519231 0.87 ALDH1A1 (0.49) METAP2IDO1NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL3119114 0.87 METAP2 (0.51) METAP2IDO1PPARGPPARAACE
Hydrochloric Acid SCHEMBL2971264 0.87 METAP2 (0.51) METAP2IDO1PPARGPPARAACE
Hydrochloric Acid SCHEMBL4141147 0.87 METAP2 (0.51) METAP2IDO1PPARGPPARAACE
SCHEMBL7317999 0.85 METAP2 (0.47) METAP2NPC1RAB9ASMN1; SMN2PIN1
SCHEMBL4141148 0.85 METAP2 (0.52) METAP2IDO1PPARGPPARACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3015488-B1 PRODUCTION METHOD FOR POLYAMINO ACID TAKEDA PHARMACEUTICALS CO (JP) 2024-03-06 EP disclosed
US-10336864-B2 Production method for poly(amino acid) TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-07-02 US disclosed
US-20180044472-A1 PRODUCTION METHOD FOR POLY(AMINO ACID) TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-02-15 US disclosed
US-9815938-B2 Production method for poly(amino acid) TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-11-14 US disclosed
US-20160177032-A1 PRODUCTION METHOD FOR POLY(AMINO ACID) TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-23 US disclosed
EP-3015488-A1 PRODUCTION METHOD FOR POLYAMINO ACID Takeda Pharmaceutical Company Limited (JP) 2016-05-04 EP disclosed
EP-2239268-A1 Dipeptide derivatives Novartis AG (CH) 2010-10-13 EP disclosed
US-20060058242-A1 Dipeptide derivatives FINK CYNTHIA A 2006-03-16 US disclosed
US-6992105-B2 Dipeptide derivatives NOVARTIS AG (CH) 2006-01-31 US disclosed
US-20040235754-A1 Dipeptide derivatives NOVARTIS AG (CH) 2004-11-25 US disclosed
US-4929641-A DIURETICS, ANGIOTENSIN CONVERTING ENZYMES SCHERING CORPORATION (US) 1990-05-29 US disclosed
US-4818749-A Carboxyalkyl dipeptides and medical use thereof in treating hypertension and congestive heart failure SCHERING CORPORATION (US) 1989-04-04 US disclosed
US-4808573-A ANGIOTENSIN CONVERTING ENZYME INHIBITORS SCHERING CORPORATION (US) 1989-02-28 US disclosed
US-4801609-A Mercapto-acylamino acid antihypertensives SCHERING CORPORATION (US) 1989-01-31 US disclosed
EP-0254032-A2 Neutral metalloendopeptidase inhibitors in the treatment of hypertension SCHERING CORPORATION (US) 1988-01-27 EP disclosed
EP-0050800-B1 CARBOXYALKYL DIPEPTIDES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING CORPORATION (US) 1986-06-18 EP disclosed
EP-0088350-B1 CARBOXYALKYL DIPEPTIDES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING CORPORATION (US) 1985-02-20 EP disclosed
US-4431644-A CARDIOVASCULAR DISORDERS; DIURETICS SCHERING CORPORATION (US) 1984-02-14 US disclosed
EP-0088350-A1 Carboxyalkyl dipeptides, processes for their production and pharmaceutical compositions containing them SCHERING CORPORATION (US) 1983-09-14 EP disclosed
EP-0050800-A1 Carboxyalkyl dipeptides, processes for their production and pharmaceutical compositions containing them SCHERING CORPORATION (US) 1982-05-05 EP 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 (5 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-20180044472-A1 PRODUCTION METHOD FOR POLY(AMINO ACID) PGA5, ENPEP, PARG MMP8 4693/4885PPARG 187/4885ACE 1449/4885
US-10336864-B2 Production method for poly(amino acid) PGA5, ENPEP, PARG MMP8 4693/4885PPARG 187/4885ACE 1449/4885
US-20060058242-A1 Dipeptide derivatives ANPEP, ECE2, ECE1 MMP8 608/4885PPARG 4878/4885ACE 20/4885
US-20160177032-A1 PRODUCTION METHOD FOR POLY(AMINO ACID) PGA5, ENPEP, PARG MMP8 4693/4885PPARG 187/4885ACE 1449/4885
US-20040235754-A1 Dipeptide derivatives ANPEP, ECE1, ECE2 MMP8 422/4885PPARG 4882/4885ACE 16/4885

“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.