SCHEMBL4809830

SCHEMBL4809830

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 1/20 0.37
LTB4R Q15722 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
PGR P06401 4/20 0.34
MAP3K5 Q99683 2/20 0.34
NR3C2 P08235 2/20 0.34
NR3C1 P04150 1/20 0.34
AR P10275 1/20 0.34
KDM1A O60341 1/20 0.33
PDE12 Q6L8Q7 1/20 0.33
ELANE P08246 1/20 0.32
PFKFB2 O60825 1/20 0.32
PFKFB1 P16118 1/20 0.32
PFKFB3 Q16875 1/20 0.32
SLC7A5 Q01650 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL4812954 0.89 HDAC3 (0.39) PLA2G4ALTB4RGABRA1GABRG2GABRB3
SCHEMBL4813751 0.86 PLA2G4A (0.46) PLA2G4ALTB4RPGRNR3C2NR3C1
SCHEMBL4813069 0.82 GABRA1 (0.35) PLA2G4ALTB4RGABRA1GABRG2GABRB3
SCHEMBL4810134 0.81 TRPA1 (0.34) PLA2G4ALTB4RGABRA1GABRG2GABRB3
SCHEMBL4813180 0.80 PLA2G4A (0.34) PLA2G4ALTB4RGABRA1GABRG2GABRB3
SCHEMBL4815551 0.78 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL4808301 0.77 PGR (0.39) PLA2G4ALTB4RPGRNR3C2NR3C1
SCHEMBL4814101 0.76 PLA2G4A (0.36) PLA2G4ALTB4RMAPT
SCHEMBL4815847 0.75 KDM4E (0.42) POLB
SCHEMBL4816072 0.73 HDAC6 (0.44) PLA2G4ALTB4RPGRHDAC6HDAC3

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 588/4885GABRA1 1973/4885

“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.