SCHEMBL688104

SCHEMBL688104

O=C(O)C[C@H](NC(=O)Nc1cccc(NCC2=CC=CCC2=S)c1)c1ccc2c(c1)OCO2

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.47
ITGAV P06756 1/20 0.47
KMT2A Q03164 8/20 0.47
MEN1 O00255 6/20 0.47
ITGA2B P08514 5/20 0.45
RAB9A P51151 6/20 0.44
MAPT P10636 2/20 0.42
NPC1 O15118 4/20 0.41
PAX8 Q06710 1/20 0.41
KLF5 Q13887 1/20 0.41
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL688065 0.81 RAB9A (0.55) ITGB3ITGAVKMT2AMEN1ITGA2B
SCHEMBL27553620 0.81 RAB9A (0.55) ITGB3ITGAVKMT2AMEN1ITGA2B
SCHEMBL687728 0.79 ITGB3 (0.41) ITGB3ITGAVKMT2AMEN1ITGA2B
SCHEMBL688684 0.77 ITGB3 (0.53) ITGB3ITGAVKMT2AMEN1ITGA2B
SCHEMBL3141349 0.74 ITGB3 (0.58) ITGB3ITGAVKMT2AMEN1ITGA2B
SCHEMBL27182521 0.71 ITGB3 (0.56) ITGB3ITGAVKMT2AMEN1ITGA2B
SCHEMBL6352863 0.70 ITGB3 (0.74) ITGB3ITGAVKMT2AMEN1ITGA2B
SCHEMBL7834692 0.69 ITGB3 (0.54) ITGB3ITGAVKMT2AMEN1ITGA2B
SCHEMBL686712 0.69 ITGB3 (0.52) ITGB3ITGAVKMT2AMEN1ITGA2B
SCHEMBL687895 0.68 PTGER3 (0.35) ITGB3ITGAVKMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1176956-B1 CARBOXYLIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS ENCYSIVE PHARMACEUTICALS INC (US) 2008-01-09 EP 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
WO-2000067746-A9 CARBOXYLIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS TEXAS BIOTECHNOLOGY CORP (US) 2002-08-29 WO disclosed
EP-1176956-A4 CARBOXYLIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS TEXAS BIOTECHNOLOGY CORP (US) 2002-08-28 EP 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
EP-1176956-A1 CARBOXYLIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-02-06 EP disclosed
WO-2000067746-A1 CARBOXYLIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS TEXAS BIOTECHNOLOGY CORPORATION (US) 2000-11-16 WO 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 7/4885KMT2A 3959/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 ITGB3 16/4885ITGAV 18/4885KMT2A 3998/4885

“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.