SCHEMBL687245

SCHEMBL687245

O=c1[nH]c2c(=O)n(Cc3ccc(OC(F)(F)F)cc3)ccc2o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.43
CHRM5 P08912 1/20 0.39
LMNA P02545 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
CYP19A1 P11511 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
NOTUM Q6P988 1/20 0.37
TYMS P04818 1/20 0.37
HTR2C P28335 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
EPHX2 P34913 1/20 0.36
PPARA Q07869 1/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
AR P10275 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL687978 0.86 GRM2 (0.42) GRM2CHRM5LMNACYP19A1CYP11B1
SCHEMBL686730 0.84 KDM4E (0.46) CHRM5LMNAALDH1A1MAPTDAO
SCHEMBL687779 0.84 MAPT (0.49) LMNAALDH1A1MAPT
SCHEMBL687659 0.82 MAPT (0.50) LMNAALDH1A1MAPT
SCHEMBL687578 0.81 MAPT (0.48) LMNAALDH1A1TSHRMAPT
SCHEMBL688045 0.80 MAPT (0.55) LMNAALDH1A1TSHREPHX2MAPT
SCHEMBL688361 0.79 MAPK14 (0.43) LMNAALDH1A1
SCHEMBL688061 0.79 HTR2C (0.39) LMNAALDH1A1HTR2CEPHX2HCRTR1
SCHEMBL687635 0.79 HDAC3 (0.41) ALDH1A1NOTUMGPR84EPHX2MAPT
SCHEMBL686689 0.77 DBH (0.43) LMNAALDH1A1MAPT

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 GRM2 1675/4885CHRM5 398/4885LMNA 1820/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 GRM2 1576/4885CHRM5 513/4885LMNA 2248/4885

“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.