SCHEMBL687978

SCHEMBL687978

O=c1[nH]c2c(=O)n(Cc3cccc(OC(F)(F)F)c3)ccc2o1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.42
OPRM1 P35372 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
MAOB P27338 1/20 0.40
CHRM5 P08912 1/20 0.40
DAO P14920 1/20 0.40
TNIK Q9UKE5 1/20 0.40
KCNN4 O15554 6/20 0.39
BRAF P15056 1/20 0.39
FEN1 P39748 1/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
AMPD2 Q01433 1/20 0.38

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
SCHEMBL687245 0.86 GRM2 (0.43) GRM2CYP19A1CYP11B1CYP11B2LMNA
SCHEMBL686626 0.85 MAPT (0.57) LMNATP53MAPT
SCHEMBL687792 0.83 MAPT (0.54) LMNATP53MAPTMAOBDAO
SCHEMBL688410 0.79 EGLN1 (0.52) LMNATP53MAPT
SCHEMBL688300 0.79 MAPT (0.52) CYP11B1CYP11B2LMNATP53MAPT
SCHEMBL688361 0.78 MAPK14 (0.43) LMNATP53
SCHEMBL688061 0.78 HTR2C (0.39) LMNAMAPTHCRTR1HCRTR2
SCHEMBL687663 0.76 KDM4E (0.39) LMNATP53MAPT
SCHEMBL687222 0.76 ADRA1D (0.39) OPRM1LMNATP53MAPT
SCHEMBL686730 0.76 KDM4E (0.46) LMNATP53MAPTCHRM5DAO

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 1675/4885OPRM1 1832/4885CYP19A1 4352/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 GRM2 1576/4885OPRM1 1751/4885CYP19A1 4386/4885

“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.