SCHEMBL4815925

SCHEMBL4815925

CCn1nc(Cc2ccc(C(=O)O)cc2-c2ccc(OC)cc2C=O)c2ccc(C#N)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.39
FNTB P49356 2/20 0.39
PLA2G4A P47712 2/20 0.37
LTB4R Q15722 1/20 0.37
SSTR5 P35346 2/20 0.36
PTPN11 Q06124 1/20 0.36
RXRA P19793 1/20 0.34
SLC22A12 Q96S37 2/20 0.34
KDM4C Q9H3R0 2/20 0.34
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
CNR1 P21554 1/20 0.33
CASP1 P29466 1/20 0.33
CNR2 P34972 1/20 0.33
CASP7 P55210 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FCER2 P06734 1/20 0.33
SYK P43405 1/20 0.33
PRKDC P78527 1/20 0.33

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
SCHEMBL4810971 0.84 PLA2G4A (0.43) FNTAFNTBPLA2G4ALTB4RSSTR5
SCHEMBL4813180 0.75 PLA2G4A (0.34) FNTAFNTBPLA2G4ALTB4RPTPN11
SCHEMBL4813707 0.73 PLA2G4A (0.44) FNTAFNTBPLA2G4ALTB4RSSTR5
SCHEMBL5248383 0.72 ELANE (0.36) PLA2G4ALTB4RSSTR5MAPTSMN1; SMN2
SCHEMBL4815933 0.70 ALK (0.35) FNTAFNTBPLA2G4ALTB4RPTPN11
SCHEMBL4810979 0.70 MAPT (0.39) MAPTKMT2ANPC1RAB9A
SCHEMBL4813069 0.69 GABRA1 (0.35) PLA2G4ALTB4RSSTR5SLC22A12NR3C2
SCHEMBL4813205 0.68 ELANE (0.34) SSTR5MAPTSMN1; SMN2USP2NPC1
SCHEMBL4812577 0.68 F10 (0.41) SSTR5PTPN11SLC22A12SMN1; SMN2RAB9A
SCHEMBL4812571 0.68 PLA2G4A (0.43) FNTAFNTBPLA2G4ALTB4RPTPN11

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 5 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 disclosed
EP-1740538-A4 BICYCLIC HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2007-12-19 EP disclosed
EP-1740538-A2 BICYCLIC HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-01-10 EP disclosed
WO-2005099709-A2 BICYCLIC HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-10-27 WO 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 FNTA 2730/4885FNTB 3938/4885PLA2G4A 271/4885

“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.