SCHEMBL686765

SCHEMBL686765

COc1ccc(Cl)c(Cn2cc(C)c3oc(=O)[nH]c3c2=O)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 2/20 0.38
NPBWR1 P48145 7/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
MAPK1 P28482 2/20 0.34
POLB P06746 2/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
P2RX7 Q99572 2/20 0.34
MAOB P27338 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MCHR1 Q99705 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL687412 0.89 GAA (0.37) NPBWR1KDM4EALDH1A1LMNAMAPK1
SCHEMBL688398 0.89 KDM4E (0.35) PTGER3NPBWR1KDM4EALDH1A1LMNA
SCHEMBL687864 0.88 GAA (0.38) NPBWR1KDM4EALDH1A1LMNAMAPK1
SCHEMBL687137 0.84 ADORA2B (0.38) PTGER3ALDH1A1LMNAMAPK1MAPT
SCHEMBL688433 0.82 TRAP1 (0.43) KDM4EALDH1A1LMNAMAPTP2RX7
SCHEMBL687901 0.82 MAPK1 (0.44) PTGER3KDM4EALDH1A1LMNAMAPK1
SCHEMBL688205 0.81 PTGER3 (0.39) PTGER3KDM4EALDH1A1LMNAMAPK1
SCHEMBL687951 0.80 MEN1 (0.44) PTGER3KDM4EALDH1A1LMNAMAPK1
SCHEMBL687622 0.79 HPGD (0.35) KDM4ELMNAMAPTHPGDTP53
SCHEMBL686912 0.78 ALPL (0.44) NPBWR1KDM4EALDH1A1LMNAPOLB

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 PTGER3 2942/4885NPBWR1 1805/4885KDM4E 2631/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 PTGER3 2649/4885NPBWR1 1657/4885KDM4E 3292/4885

“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.