SCHEMBL687397

SCHEMBL687397

CSc1ccccc1Cn1ccc2oc(=O)[nH]c2c1=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.36
EDNRB P24530 1/20 0.34
P2RX7 Q99572 2/20 0.34
POLB P06746 1/20 0.33
CHRM2 P08172 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
OGT O15294 1/20 0.32
THRB P10828 2/20 0.32
PDE5A O76074 1/20 0.31
TAS2R8 Q9NYW2 1/20 0.31
GRM5 P41594 2/20 0.31
EPHX2 P34913 2/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL687826 0.84 POLB (0.49) MCL1POLBALDH1A1KDM4EMAPK1
SCHEMBL688408 0.81 THRB (0.47) MCL1POLBALDH1A1KDM4ETHRB
SCHEMBL686785 0.81 HDAC3 (0.41) MCL1POLBALDH1A1KDM4EOGT
SCHEMBL687519 0.81 ALDH1A1 (0.45) ALDH1A1KDM4EMAPK1LMNA
SCHEMBL687698 0.81 LMNA (0.51) ALDH1A1LMNA
SCHEMBL686853 0.80 MCL1 (0.35) MCL1P2RX7POLBMAPK1OGT
SCHEMBL688176 0.78 CYP19A1 (0.42) MCL1ALDH1A1KDM4EGAAMAPK1
SCHEMBL687704 0.78 ADORA2A (0.38) MCL1POLBALDH1A1KDM4EGAA
SCHEMBL688361 0.78 MAPK14 (0.43) MCL1POLBALDH1A1KDM4EGLA
SCHEMBL688034 0.77 PTGDR2 (0.35) MCL1POLBALDH1A1EPHX2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. 2004-04-01 US claimed
EP-1203766-A2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-05-08 EP claimed
EP-1203766-B1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC (US) 2012-02-29 EP disclosed
US-7812038-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS, INC. (US) 2010-10-12 US disclosed
US-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors BIEDIGER RONALD J 2006-12-07 US disclosed
US-6972296-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. (US) 2005-12-06 US disclosed
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. 2004-04-01 US disclosed
EP-1203766-A2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-05-08 EP 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 (2 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-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, ITGA1 MCL1 1457/4885EDNRB 414/4885P2RX7 1731/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 MCL1 971/4885EDNRB 296/4885P2RX7 2582/4885

“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.