SCHEMBL4814925

SCHEMBL4814925

CCn1cc(Cc2ccccc2-c2ccc(Cl)cc2C(=O)O)c2ccc(C(=N)N)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 2/20 0.40
CPT1A P50416 1/20 0.39
KMT2A Q03164 2/20 0.38
SLC22A12 Q96S37 1/20 0.38
MCL1 Q07820 3/20 0.37
BAD Q92934 1/20 0.37
F2 P00734 3/20 0.36
F10 P00742 3/20 0.36
F7 P08709 3/20 0.36
F3 P13726 2/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
LTB4R Q15722 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
PIK3CD O00329 1/20 0.34
PIK3R1 P27986 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
SCHEMBL4811451 0.92 SLC22A12 (0.41) KMT2ASLC22A12MCL1BADF2
SCHEMBL4808748 0.89 ALDH1A1 (0.43) PLA2G4ASLC22A12MCL1BADF2
SCHEMBL4863979 0.86 SLC22A12 (0.36) PLA2G4ACPT1ASLC22A12MCL1BAD
SCHEMBL4815014 0.85 SLC22A12 (0.40) PLA2G4AKMT2ASLC22A12MCL1BAD
SCHEMBL4813787 0.85 KDM4E (0.46) SLC22A12KDM4EALDH1A1
SCHEMBL4815488 0.84 SLC22A12 (0.42) PLA2G4ASLC22A12F2F10PRSS1
SCHEMBL4814585 0.83 SLC22A12 (0.48) SLC22A12MCL1BADF2F10
SCHEMBL4812974 0.83 TDP1 (0.40) KMT2ASLC22A12F2F10PRSS1
SCHEMBL4810862 0.82 SLC22A12 (0.42) PLA2G4AKMT2ASLC22A12F2F10
SCHEMBL4811788 0.82 CNR2 (0.41) PLA2G4AMCL1BADF2F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7417063-B2 Bicyclic heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 US claimed
EP-1740538-A4 BICYCLIC HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2007-12-19 EP claimed
EP-1740538-A2 BICYCLIC HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-01-10 EP claimed
WO-2005099709-A2 BICYCLIC HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-10-27 WO claimed
US-20050228000-A1 of the coagulation cascade or contact activation system: thrombin, factor Xa, factor XIa, factor IXa, factor VIIa or plasma kallikrein; e.g. -(6-carbamimidoyl-1H-indol-3-ylmethyl)-4-methoxy-biphenyl-2-carboxylic acid; anticoagulant, antiinflammatory agent BRISTOL-MYERS SQUIBB COMPANY 2005-10-13 US claimed
US-7417063-B2 Bicyclic heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 US disclosed
US-20050228000-A1 of the coagulation cascade or contact activation system: thrombin, factor Xa, factor XIa, factor IXa, factor VIIa or plasma kallikrein; e.g. -(6-carbamimidoyl-1H-indol-3-ylmethyl)-4-methoxy-biphenyl-2-carboxylic acid; anticoagulant, antiinflammatory agent BRISTOL-MYERS SQUIBB COMPANY 2005-10-13 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-20050228000-A1 of the coagulation cascade or contact activation system: thrombin, factor Xa, factor XIa, factor IXa, factor VIIa or plasma kallikrein; e.g. -(6-carbamimidoyl-1H-indol-3-ylmethyl)-4-methoxy-biphenyl-2-carboxylic acid; anticoagulant, antiinflammatory agent F12, F11, F2 PLA2G4A 271/4885CPT1A 4323/4885KMT2A 576/4885

“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.