Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4588428

CCOC(=O)[C@H](Cc1ccccc1)NC.Cl

nearest known ligand 0.57

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 20)

geneUniProtsupporting neighboursconfidence
MMP8 known ✓ P22894 1/20 0.57
TACR1 known ✓ P25103 1/20 0.50
PPARG known ✓ P37231 1/20 0.48
GAA known ✓ P10253 1/20 0.48
EGFR known ✓ P00533 1/20 0.46
ELANE P08246 1/20 0.52
HPRT1 P00492 1/20 0.52
TP53 P04637 2/20 0.51
POLB P06746 2/20 0.49
PIN1 Q13526 1/20 0.49
ALDH1A1 P00352 2/20 0.48
EPHX2 P34913 1/20 0.48
RAB9A P51151 1/20 0.48
ATM Q13315 1/20 0.48
NPY1R P25929 1/20 0.47
NPY2R P49146 1/20 0.47
THRB P10828 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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 SCHEMBL8027739 1.00 MMP8 (0.57) MMP8ELANEHPRT1TP53TACR1
SCHEMBL6322057 0.98 MMP8 (0.59) MMP8ELANEHPRT1TP53TACR1
SCHEMBL4765072 0.98 MMP8 (0.59) MMP8ELANEHPRT1TP53TACR1
Hydrochloric Acid SCHEMBL1168459 0.87 MMP8 (0.57) MMP8ELANEHPRT1TP53TACR1
Hydrochloric Acid SCHEMBL1168461 0.87 MMP8 (0.57) MMP8ELANEHPRT1TP53TACR1
Hydrochloric Acid SCHEMBL7327532 0.87 ATM (0.61) POLBALDH1A1GAARAB9AATM
Hydrochloric Acid SCHEMBL8724387 0.87 ATM (0.61) POLBALDH1A1GAARAB9AATM
Hydrochloric Acid SCHEMBL13724226 0.86 MMP8 (0.56) MMP8ELANEHPRT1TP53TACR1
SCHEMBL18202478 0.86 POLB (0.51) MMP8HPRT1TACR1POLBALDH1A1
Hydrochloric Acid SCHEMBL13724224 0.86 MMP8 (0.56) MMP8ELANEHPRT1TP53TACR1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080166362-A1 New effector conjugates, process for their production and their pharmaceutical use BERGER MARKUS 2008-07-10 US disclosed
US-7335775-B2 Effector conjugates, process for their production and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 2008-02-26 US disclosed
US-20070088060-A1 New effector conjugates, process for their production and their pharmaceutical use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-04-19 US disclosed
US-7129254-B2 Effector conjugates, process for their production and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 2006-10-31 US disclosed
US-6914138-B2 Urea nucleosides as therapeutic and diagnostic agents GILEAD SCIENCES, INC. (US) 2005-07-05 US disclosed
EP-1524979-A2 NEW EFFECTOR CONJUGATES, PROCESS FOR THEIR PRODUCTION AND THEIR PHARMACEUTICAL USE Schering AG (DE) 2005-04-27 EP disclosed
US-20050026971-A1 New effector conjugates, process for their production and their pharmaceutical use SCHERING AG (DE) 2005-02-03 US disclosed
WO-2004012735-A2 NEW EFFECTOR CONJUGATES, PROCESS FOR THEIR PRODUCTION AND THEIR PHARMACEUTICAL USE SCHERING AG (DE) 2004-02-12 WO disclosed
US-20030069414-A1 Urea nucleosides as therapeutic and diagnostic agents GILEAD SCIENCES, INC. 2003-04-10 US disclosed
US-6441161-B1 REACTING A NUCLEOSIDE WITH A VINYLSTANNANE COMPOUND AND CARBON MONOXIDE GILEAD SCIENCES, INC. 2002-08-27 US disclosed
US-6143882-A REACTING A NUCLEOSIDE STARTING MATERIAL CONTAINING A LEAVING GROUP WITH A VINYLSTANNE OF DEFINED FORMULA AND CARBON MONOXIDE IN PRESENCE OF A PALLADIUM CATALYST TO FORM AN ENE-ONE INTERMEDIATE, REACTING WITH AN AMINE, AND ISOLATING NEXSTAR PHARMACEUTICALS, INC. (US) 2000-11-07 US disclosed
US-6121325-A Naphthyl compounds promote release of growth hormone MERCK & CO., INC. (US) 2000-09-19 US disclosed
US-5959100-A NOVEL COMPOUNDS USEFUL AS DIAGNOSTIC AGENTS AND AS ANTITUMOR, ANTIVIRAL AND/OR ANTIBIOTIC THERAPEUTIC AGENTS NEXSTAR PHARMACEUTICALS, INC. (US) 1999-09-28 US disclosed
WO-1997035868-A9 UREA NUCLEOSIDES AS THERAPEUTIC AND DIAGNOSTIC AGENTS 1997-12-24 WO disclosed
EP-0730578-A4 INDOLYL GROUP CONTAINING COMPOUNDS AND THE USE THEREOF TO PROMOTE THE RELEASE OF GROWTH HORMONE(S) MERCK & CO INC (US) 1997-10-08 EP disclosed
WO-1997035868-A1 UREA NUCLEOSIDES AS THERAPEUTIC AND DIAGNOSTIC AGENTS NEXSTAR PHARMACEUTICALS, INC. (US) 1997-10-02 WO disclosed
US-5663171-A FOR USE IN HUMANS OR ANIMALS MERCK & CO., INC. (US) 1997-09-02 US disclosed
EP-0730578-A1 INDOLYL GROUP CONTAINING COMPOUNDS AND THE USE THEREOF TO PROMOTE THE RELEASE OF GROWTH HORMONE(S) MERCK & CO. INC. (US) 1996-09-11 EP disclosed
WO-1995014666-A1 INDOLYL GROUP CONTAINING COMPOUNDS AND THE USE THEREOF TO PROMOTE THE RELEASE OF GROWTH HORMONE(S) MERCK & CO., INC. (US) 1995-06-01 WO 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 (4 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-20080166362-A1 New effector conjugates, process for their production and their pharmaceutical use EPOR, TIE1, TEK MMP8 111/4885TACR1 2294/4885PPARG 3807/4885
US-20050026971-A1 New effector conjugates, process for their production and their pharmaceutical use EPOR, TIE1, TEK MMP8 111/4885TACR1 2294/4885PPARG 3807/4885
US-20070088060-A1 New effector conjugates, process for their production and their pharmaceutical use EPOR, TIE1, TEK MMP8 111/4885TACR1 2294/4885PPARG 3807/4885
US-20030069414-A1 Urea nucleosides as therapeutic and diagnostic agents NUDT1, ADAR, DUT MMP8 1715/4885TACR1 4744/4885PPARG 3066/4885

“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.