SCHEMBL687412

SCHEMBL687412

CCOc1ccc(Cl)c(Cn2cc(C)c3oc(=O)[nH]c3c2=O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.37
TP53 P04637 2/20 0.37
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 4/20 0.36
HPGD P15428 2/20 0.36
NPBWR1 P48145 2/20 0.36
MAPT P10636 4/20 0.35
MCHR1 Q99705 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 2/20 0.34
ESR2 Q92731 1/20 0.34
TSHR P16473 2/20 0.34
P2RX7 Q99572 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CA12 O43570 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
SCHEMBL687864 0.92 GAA (0.38) GAATP53ALDH1A1KDM4EHPGD
SCHEMBL686765 0.89 PTGER3 (0.38) TP53ALDH1A1KDM4EHPGDNPBWR1
SCHEMBL688398 0.87 KDM4E (0.35) GAAALDH1A1KDM4EHPGDNPBWR1
SCHEMBL687137 0.83 ADORA2B (0.38) TP53ALDH1A1MAPTLMNAHTT
SCHEMBL688433 0.80 TRAP1 (0.43) TP53ALDH1A1KDM4EMAPTLMNA
SCHEMBL687901 0.80 MAPK1 (0.44) GAAALDH1A1KDM4EMAPTLMNA
SCHEMBL687951 0.78 MEN1 (0.44) ALDH1A1KDM4EHPGDLMNAHTT
SCHEMBL687662 0.77 KDM4E (0.39) TP53ALDH1A1KDM4EHPGDMAPT
SCHEMBL30155068 0.77 KDM4E (0.39) TP53ALDH1A1KDM4EHPGDMAPT
SCHEMBL686912 0.76 ALPL (0.44) GAAALDH1A1KDM4ENPBWR1MCHR1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GAA 691/4885TP53 2186/4885ALDH1A1 53/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 GAA 624/4885TP53 1640/4885ALDH1A1 57/4885

“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.