Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3678142

COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)OC(=O)C(N)C(C)C)n(-c5ccccc5)c4=O)nc3)ccnc2c1.Cl

nearest known ligand 0.82

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
MET known ✓ P08581 20/20 0.82
KDR known ✓ P35968 19/20 0.82
JAK2 known ✓ O60674 1/20 0.71
ABL1 known ✓ P00519 1/20 0.71
LCK known ✓ P06239 1/20 0.71
CSF1R known ✓ P07333 1/20 0.71
RET known ✓ P07949 1/20 0.71
KIT known ✓ P10721 1/20 0.71
FGFR1 known ✓ P11362 1/20 0.71
SRC known ✓ P12931 1/20 0.71
JAK1 known ✓ P23458 1/20 0.71
FLT3 known ✓ P36888 1/20 0.71
ITK known ✓ Q08881 1/20 0.71
MAPK14 known ✓ Q16539 1/20 0.71
IGF1R P08069 20/20 0.82
AURKA O14965 1/20 0.71
RPS6KA5 O75582 1/20 0.71
INSR P06213 1/20 0.71
FES P07332 1/20 0.71
LYN P07948 1/20 0.71

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 SCHEMBL374224 1.00 IGF1R (0.82) IGF1RMETKDRAURKAJAK2
Hydrochloric Acid SCHEMBL374225 1.00 IGF1R (0.82) IGF1RMETKDRAURKAJAK2
SCHEMBL11911667 0.99 IGF1R (0.83) IGF1RMETKDRAURKAJAK2
Hydrochloric Acid SCHEMBL3676223 0.95 IGF1R (0.81) IGF1RMETKDRAURKAJAK2
Hydrochloric Acid SCHEMBL374042 0.95 IGF1R (0.81) IGF1RMETKDRAURKAJAK2
Hydrochloric Acid SCHEMBL374240 0.95 IGF1R (0.81) IGF1RMETKDRAURKAJAK2
SCHEMBL11911661 0.94 IGF1R (0.82) IGF1RMETKDRAURKAJAK2
SCHEMBL3674699 0.94 IGF1R (0.82) IGF1RMETKDRAURKAJAK2
SCHEMBL373798 0.94 IGF1R (0.82) IGF1RMETKDRAURKAJAK2
Oxalic Acid SCHEMBL377624 0.93 IGF1R (0.81) IGF1RMETKDRAURKAJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408300-B1 AMINO ESTER DERIVATIVES, SALTS THEREOF AND METHODS OF USE SUNSHINE LAKE PHARMA CO LTD (CN) 2016-05-11 EP disclosed
US-8232294-B2 Amino ester derivatives, sailts thereof and methods of use Xi, Ning (US) 2012-07-31 US disclosed
US-20100239576-A1 AMINO ESTER DERIVATIVES, SAILTS THEREOF AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2010-09-23 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 (1 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-20100239576-A1 AMINO ESTER DERIVATIVES, SAILTS THEREOF AND METHODS OF USE SRC, BCAT1, BCAT2 MET 185/4885KDR 958/4885JAK2 11/4885

“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.