SCHEMBL687663

SCHEMBL687663

CSc1cccc(Cn2ccc3oc(=O)[nH]c3c2=O)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 7/20 0.36
TP53 P04637 3/20 0.36
POLB P06746 2/20 0.36
GLA P06280 1/20 0.35
LMNA P02545 2/20 0.35
CFTR P13569 1/20 0.34
KMT2A Q03164 3/20 0.33
EGLN1 Q9GZT9 1/20 0.33
NPC1 O15118 1/20 0.33
MEN1 O00255 2/20 0.32
PDE5A O76074 1/20 0.32
MCL1 Q07820 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
EPHX2 P34913 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
SCHEMBL688300 0.84 MAPT (0.52) KDM4EMAPTTP53POLBLMNA
SCHEMBL688410 0.82 EGLN1 (0.52) KDM4EALDH1A1GAATDP1MAPT
SCHEMBL686626 0.81 MAPT (0.57) MAPTTP53POLBLMNAKMT2A
SCHEMBL688361 0.81 MAPK14 (0.43) KDM4EALDH1A1GAATP53POLB
SCHEMBL687222 0.81 ADRA1D (0.39) MAPTTP53POLBLMNAKMT2A
SCHEMBL687351 0.80 SLC5A1 (0.34)
SCHEMBL687792 0.79 MAPT (0.54) KDM4EALDH1A1GAAMAPTTP53
SCHEMBL688030 0.78 MAPT (0.40) KDM4EALDH1A1GAAMAPTTP53
SCHEMBL687978 0.76 GRM2 (0.42) MAPTTP53LMNA
SCHEMBL688045 0.76 MAPT (0.55) KDM4EALDH1A1GAAMAPTTP53

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 6 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
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 KDM4E 2631/4885ALDH1A1 53/4885GAA 691/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 KDM4E 3292/4885ALDH1A1 57/4885GAA 624/4885

“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.