SCHEMBL4815680

SCHEMBL4815680

CCn1cc(Cc2ccc(C(=O)NCC(=O)OC(C)(C)C)cc2-c2ccc(C)cc2C(=O)OCc2ccccc2)c2ccc(C#N)cc21

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 2/20 0.37
PTGER4 P35408 1/20 0.34
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.32
XBP1 P17861 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PLA2G4A P47712 1/20 0.32
LTB4R Q15722 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 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
SCHEMBL4811266 0.93 PTGER4 (0.36) PTPRCPTGER4TSHRMAPK1PLA2G4A
SCHEMBL4815505 0.92 TSHR (0.36) TSHRMAPK1MEN1KMT2AMAPT
SCHEMBL4815141 0.91 PTGER4 (0.34) PTGER4TSHRMAPK1PLA2G4ALTB4R
SCHEMBL4812930 0.88 PLA2G4A (0.41) TSHRMAPK1MEN1KMT2ANPSR1
SCHEMBL4815675 0.86 ROCK2 (0.42) PTGER4TSHRMAPK1MEN1KMT2A
SCHEMBL4812944 0.85 PLA2G4A (0.38) TSHRMAPK1MEN1KMT2AMAPT
SCHEMBL4813338 0.85 P2RX3 (0.40) PTGER4TSHRMAPK1
SCHEMBL4814101 0.84 PLA2G4A (0.36) TSHRMAPK1MAPTPLA2G4ALTB4R
SCHEMBL4815125 0.81 TSHR (0.33) TSHRMAPK1PLA2G4ALTB4R
SCHEMBL4805310 0.80 PTGER4 (0.35) PTGER4MAPTPLA2G4ALTB4R

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 PTPRC 2094/4885PTGER4 697/4885TSHR 2197/4885

“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.