SCHEMBL688105

SCHEMBL688105

CCOc1cccc(Cl)c1Cn1cc(C)c(O)c(NC(=O)N[C@@H](CC(=O)O)c2cccc(OC(F)(F)F)c2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.39
ITGAV P06756 2/20 0.39
ITGB5 P18084 2/20 0.39
ITGB6 P18564 2/20 0.39
WDR5 P61964 1/20 0.37
HCRTR1 O43613 3/20 0.35
HCRTR2 O43614 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B13 Q7Z5P4 4/20 0.35
ITGB8 P26012 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
P2RX7 Q99572 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE2A O00408 1/20 0.33
KCNB1 Q14721 1/20 0.33
MAPK1 P28482 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
SCHEMBL686989 0.93 SMN1; SMN2 (0.38) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL687802 0.91 CTSA (0.34) ITGB3ITGAVITGB5ITGB6WDR5
SCHEMBL687265 0.91 CTSA (0.40) WDR5SMN1; SMN2KDM4EALDH1A1P2RX7
SCHEMBL687119 0.91 SMN1; SMN2 (0.36) SMN1; SMN2KDM4EALDH1A1KMT2AKCNB1
SCHEMBL688507 0.90 SMN1; SMN2 (0.38) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL687688 0.89 SMN1; SMN2 (0.37) SMN1; SMN2KDM4EALDH1A1MEN1NPC1
SCHEMBL688501 0.89 SMN1; SMN2 (0.40) SMN1; SMN2KDM4EALDH1A1P2RX7MEN1
SCHEMBL688946 0.88 SMN1; SMN2 (0.34) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL686996 0.88 P2RX3 (0.35) SMN1; SMN2KDM4EALDH1A1KMT2ACTSA
SCHEMBL688386 0.88 SMN1; SMN2 (0.40) HCRTR1SMN1; SMN2KDM4EALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6972296-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. (US) 2005-12-06 US claimed
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 ITGB3 14/4885ITGAV 7/4885ITGB5 19/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 ITGB3 16/4885ITGAV 18/4885ITGB5 33/4885

“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.