SCHEMBL688398

SCHEMBL688398

Cc1cn(Cc2cc(OC(C)C)ccc2Cl)c(=O)c2[nH]c(=O)oc12

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HSD17B10 Q99714 1/20 0.35
P2RX7 Q99572 5/20 0.33
MAPK1 P28482 2/20 0.33
PPARG P37231 1/20 0.33
NPBWR1 P48145 2/20 0.32
EZH2 Q15910 1/20 0.32
PTGDR Q13258 1/20 0.32
P2RX3 P56373 1/20 0.31
PTGER3 P43115 1/20 0.31

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
SCHEMBL686765 0.89 PTGER3 (0.38) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL687412 0.87 GAA (0.37) KDM4EALDH1A1HPGDLMNAGAA
SCHEMBL687864 0.85 GAA (0.38) KDM4EALDH1A1HPGDLMNAGAA
SCHEMBL687137 0.82 ADORA2B (0.38) ALDH1A1LMNAMEN1KMT2AP2RX7
SCHEMBL688433 0.79 TRAP1 (0.43) KDM4EALDH1A1LMNAP2RX7
SCHEMBL687901 0.79 MAPK1 (0.44) KDM4EALDH1A1LMNAGAAMEN1
SCHEMBL687609 0.78 P2RX7 (0.36) KDM4EALDH1A1HPGDLMNAMEN1
SCHEMBL687951 0.77 MEN1 (0.44) KDM4EALDH1A1HPGDLMNAMEN1
SCHEMBL686912 0.75 ALPL (0.44) KDM4EALDH1A1LMNAGAAMEN1
SCHEMBL687568 0.75 ALPL (0.46) KDM4EALDH1A1GAAMEN1KMT2A

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 KDM4E 2631/4885ALDH1A1 53/4885HPGD 1322/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 KDM4E 3292/4885ALDH1A1 57/4885HPGD 1063/4885

“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.