SCHEMBL4810134

SCHEMBL4810134

CCn1cc(Cc2ccc(C(=O)OC(C)(C)C)cc2-c2ccc(Cl)cc2C(=O)OC)c2ccc(C#N)cc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
PLA2G4A P47712 2/20 0.34
LTB4R Q15722 1/20 0.34
CNR1 P21554 2/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
AR P10275 1/20 0.33
NR4A2 P43354 1/20 0.33
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
PRPS1 P60891 1/20 0.32
KCNH2 Q12809 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
DDR1 Q08345 1/20 0.32
HPGD P15428 1/20 0.31

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
SCHEMBL4809827 0.91 PLA2G4A (0.42) TRPA1AKR1C3AKR1C2HCRTR1HCRTR2
SCHEMBL4814101 0.82 PLA2G4A (0.36) PLA2G4ALTB4RMAPTHPGD
SCHEMBL4813180 0.82 PLA2G4A (0.34) AKR1C3AKR1C2PLA2G4ALTB4RCNR1
SCHEMBL4814044 0.81 P2RX3 (0.37) AKR1C3AKR1C2
SCHEMBL4809830 0.81 PLA2G4A (0.37) PLA2G4ALTB4RCNR1NR3C1PGR
SCHEMBL4815680 0.75 PTPRC (0.37) PLA2G4ALTB4RMAPTNPSR1
SCHEMBL4812571 0.73 PLA2G4A (0.43) PLA2G4ALTB4RPOLBMAPTHPGD
SCHEMBL4812579 0.73 PLA2G4A (0.40) PLA2G4ALTB4RMAPTHPGD
SCHEMBL4812930 0.73 PLA2G4A (0.41) PLA2G4ALTB4RNPSR1MRGPRX4
SCHEMBL4812944 0.73 PLA2G4A (0.38) PLA2G4ALTB4RMAPTNPSR1

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 2 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
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 TRPA1 2149/4885AKR1C3 513/4885AKR1C2 1294/4885

“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.