SCHEMBL4813751

SCHEMBL4813751

CCn1cc(Cc2ccc(C(=O)O)cc2Br)c2ccc(C#N)cc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 4/20 0.46
LTB4R Q15722 2/20 0.46
SLC22A12 Q96S37 3/20 0.42
CYSLTR2 Q9NS75 2/20 0.39
CYSLTR1 Q9Y271 2/20 0.39
PGR P06401 2/20 0.37
NR3C1 P04150 1/20 0.37
NR3C2 P08235 1/20 0.37
AR P10275 1/20 0.37
KDM4C Q9H3R0 1/20 0.36
KDM1A O60341 1/20 0.35
AGTR1 P30556 1/20 0.35
AGTR2 P50052 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 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
SCHEMBL4809830 0.86 PLA2G4A (0.37) PLA2G4ALTB4RPGRNR3C1NR3C2
SCHEMBL4808301 0.81 PGR (0.39) PLA2G4ALTB4RPGRNR3C1NR3C2
SCHEMBL4815847 0.80 KDM4E (0.42)
SCHEMBL4813707 0.78 PLA2G4A (0.44) PLA2G4ALTB4RSLC22A12CYSLTR2CYSLTR1
SCHEMBL4809827 0.78 PLA2G4A (0.42) PLA2G4ALTB4RSLC22A12CYSLTR2CYSLTR1
SCHEMBL4816072 0.77 HDAC6 (0.44) PLA2G4ALTB4RPGR
SCHEMBL4810971 0.77 PLA2G4A (0.43) PLA2G4ALTB4RSLC22A12CYSLTR2CYSLTR1
SCHEMBL4812930 0.74 PLA2G4A (0.41) PLA2G4ALTB4RSLC22A12CYSLTR2CYSLTR1
SCHEMBL4812954 0.74 HDAC3 (0.39) PLA2G4ALTB4RAR
SCHEMBL4812571 0.73 PLA2G4A (0.43) PLA2G4ALTB4RCYSLTR2CYSLTR1

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 588/4885SLC22A12 4383/4885

“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.