SCHEMBL4813707

SCHEMBL4813707

CCn1cc(Cc2ccc(C(=O)O)cc2-c2ccc(OC)cc2CO)c2ccc(C#N)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 4/20 0.44
LTB4R Q15722 1/20 0.44
PTPN11 Q06124 1/20 0.39
CYSLTR2 Q9NS75 2/20 0.38
CYSLTR1 Q9Y271 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
BAZ2B Q9UIF8 1/20 0.36
BAZ2A Q9UIF9 1/20 0.36
SLC22A12 Q96S37 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
CNR1 P21554 1/20 0.35

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 0.89 PLA2G4A (0.43) PLA2G4ALTB4RPTPN11CYSLTR2CYSLTR1
SCHEMBL4807028 0.86 PLA2G4A (0.40) PLA2G4ACYSLTR2CYSLTR1KDM4EALDH1A1
SCHEMBL4812571 0.84 PLA2G4A (0.43) PLA2G4ALTB4RPTPN11CYSLTR2CYSLTR1
SCHEMBL4809827 0.81 PLA2G4A (0.42) PLA2G4ALTB4RCYSLTR2CYSLTR1SLC22A12
SCHEMBL4812579 0.81 PLA2G4A (0.40) PLA2G4ALTB4RCYSLTR2CYSLTR1KDM4E
SCHEMBL4813180 0.79 PLA2G4A (0.34) PLA2G4ALTB4RPTPN11CYSLTR2CYSLTR1
SCHEMBL4813751 0.78 PLA2G4A (0.46) PLA2G4ALTB4RCYSLTR2CYSLTR1SLC22A12
SCHEMBL4816319 0.78 RAB9A (0.36) PLA2G4ALTB4RPTPN11KDM4EALDH1A1
SCHEMBL4809051 0.77 MEN1 (0.44) KDM4EALDH1A1HPGDRAB9AHSD17B10
SCHEMBL4805531 0.77 SCN9A (0.39) PLA2G4ALTB4RKDM4EALDH1A1HPGD

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 PLA2G4A 271/4885LTB4R 588/4885PTPN11 1172/4885

“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.