SCHEMBL4310539

SCHEMBL4310539

CS(=O)(=O)OCc1ccnc(C(N)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 4/20 0.46
CYP4A11 Q02928 3/20 0.46
MMP12 P39900 1/20 0.38
OPRM1 P35372 6/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CSF1R P07333 1/20 0.36
IGF1R P08069 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
OPRK1 P41145 1/20 0.36
KCNH2 Q12809 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
SMYD3 Q9H7B4 1/20 0.35
SCN9A Q15858 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
TSHR P16473 1/20 0.34
MC4R P32245 1/20 0.34
ADRA1A P35348 1/20 0.34
MC3R P41968 1/20 0.34

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
SCHEMBL4302305 0.95 CYP4F2 (0.43) CYP4F2CYP4A11MMP12OPRM1CYP1A2
SCHEMBL1166333 0.87 ALDH1A1 (0.39) CYP4F2CYP4A11CYP1A2CYP3A4CYP2D6
SCHEMBL10204398 0.84 ALDH1A1 (0.45) CYP1A2CYP3A4MRGPRX4SMYD3
SCHEMBL4307516 0.83 PARP1 (0.45) CSF1RIGF1RLOXL2SMYD3
SCHEMBL4944793 0.83 ALDH1A1 (0.38) CYP4F2CYP4A11CYP1A2CYP3A4CYP2D6
SCHEMBL28728220 0.82 GABRA1 (0.43) CYP1A2
SCHEMBL30341012 0.81 CYP4F2 (0.50) CYP4F2CYP4A11MMP12OPRM1CSF1R
SCHEMBL4941679 0.81 PARP1 (0.46) CYP4F2CYP4A11CSF1RLOXL2SMYD3
SCHEMBL31391294 0.79 CDC7 (0.34) CYP4F2CYP4A11MRGPRX4SMYD3TSHR
SCHEMBL4937449 0.78 LOXL2 (0.46) CYP4F2CYP4A11CYP1A2LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110301122-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-08 US disclosed
US-20110301122-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-08 US disclosed
US-20110301122-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-08 US disclosed
WO-2010054764-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-20 WO disclosed
US-20090023753-A1 1,3-Thiazole-5-Carboxamides Useful as Cancer Chemotherapeutic Agents BAYER HEALTHCARE AG (DE) 2009-01-22 US disclosed
US-20090023753-A1 1,3-Thiazole-5-Carboxamides Useful as Cancer Chemotherapeutic Agents BAYER HEALTHCARE AG (DE) 2009-01-22 US disclosed
US-20090023753-A1 1,3-Thiazole-5-Carboxamides Useful as Cancer Chemotherapeutic Agents BAYER HEALTHCARE AG (DE) 2009-01-22 US disclosed
US-20080293696-A1 2-Aminoarylcarboxamides Useful as Cancer Chemotherapeutic Agents BAYER PHARMACEUTICALS CORPORATION (US) 2008-11-27 US disclosed
US-20080293696-A1 2-Aminoarylcarboxamides Useful as Cancer Chemotherapeutic Agents BAYER PHARMACEUTICALS CORPORATION (US) 2008-11-27 US disclosed
US-20080293696-A1 2-Aminoarylcarboxamides Useful as Cancer Chemotherapeutic Agents BAYER PHARMACEUTICALS CORPORATION (US) 2008-11-27 US disclosed
EP-1891047-A4 1-METHYL-1H-PYRAZOLE-4-CARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS BAYER HEALTHCARE AG (DE) 2008-07-09 EP disclosed
EP-1891047-A2 1-METHYL-1H-PYRAZOLE-4-CARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS Bayer HealthCare AG (DE) 2008-02-27 EP disclosed
EP-1765811-A2 2-AMINOARYLCARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS Bayer Pharmaceuticals Corporation (US) 2007-03-28 EP disclosed
WO-2006133006-A2 1-METHYL-1H-PYRAZOLE-4-CARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS BAYER HEALTHCARE AG (DE) 2006-12-14 WO disclosed
WO-2006023707-A2 2-AMINOTHIOPHENECARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS BAYER PHARMACEUTICALS CORPORATION (US) 2006-03-02 WO disclosed
WO-2006002383-A2 2-AMINOARYLCARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS BAYER PHARMACEUTICALS CORPORATION (US) 2006-01-05 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 (3 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-20110301122-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS HIF1AN, HIF1A, VHL CYP4F2 417/4885CYP4A11 449/4885MMP12 1240/4885
US-20080293696-A1 2-Aminoarylcarboxamides Useful as Cancer Chemotherapeutic Agents ABCC3, HCCS, ABCC2 CYP4F2 305/4885CYP4A11 2087/4885MMP12 4696/4885
US-20090023753-A1 1,3-Thiazole-5-Carboxamides Useful as Cancer Chemotherapeutic Agents MCL1, HDAC5, HDAC6 CYP4F2 4269/4885CYP4A11 4771/4885MMP12 4196/4885

“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.