SCHEMBL688274

SCHEMBL688274

Cc1cccc(C)c1Cn1ccc2oc(=O)[nH]c2c1=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.39
EPHX2 P34913 3/20 0.36
MCL1 Q07820 1/20 0.36
GRM5 P41594 6/20 0.35
ACP1 P24666 1/20 0.34
POLB P06746 1/20 0.33
NOTUM Q6P988 1/20 0.33
SLC22A12 Q96S37 1/20 0.32
NOS1 P29475 2/20 0.32
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
OGT O15294 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
SCHEMBL687958 0.88 NOS1 (0.37) PKMEPHX2MCL1GRM5NOS1
SCHEMBL687826 0.85 POLB (0.49) MCL1POLB
SCHEMBL688136 0.84 NPSR1 (0.46) PKMMCL1GRM5ACP1POLB
SCHEMBL687541 0.84 LMNA (0.42) PKMEPHX2MCL1GRM5POLB
SCHEMBL687598 0.83 GRM5 (0.41) EPHX2MCL1GRM5POLB
SCHEMBL688300 0.81 MAPT (0.52) GRM5POLBNOS1NOS3NOS2
SCHEMBL688045 0.80 MAPT (0.55) PKMEPHX2POLBNOS1NOS3
SCHEMBL688361 0.79 MAPK14 (0.43) MCL1POLB
SCHEMBL686814 0.79 LMNA (0.55) PKMPOLB
SCHEMBL687067 0.78 LMNA (0.47) PKMEPHX2GRM5ACP1POLB

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 PKM 3429/4885EPHX2 3258/4885MCL1 1457/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 PKM 3321/4885EPHX2 3583/4885MCL1 971/4885

“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.