SCHEMBL4436784

SCHEMBL4436784

CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)c1ccc2c(c1)OCO2)N1CC(=O)N(CC2=CC=CCC2=S)[C@@H](Cc2ccccc2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.39
ITGAV P06756 5/20 0.39
ITGA2B P08514 8/20 0.34
MCHR1 Q99705 4/20 0.33
GAA P10253 1/20 0.33
REN P00797 1/20 0.32
CTSD P07339 1/20 0.32
F2R P25116 1/20 0.32

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
SCHEMBL4436779 0.86 ITGB3 (0.39) ITGB3ITGAVITGA2BMCHR1GAA
SCHEMBL4429749 0.83 ITGB3 (0.36) ITGB3ITGAVITGA2BGAAF2R
SCHEMBL4428453 0.75 CASP1 (0.38) ITGB3ITGAVITGA2BGAA
SCHEMBL4428312 0.72 ITGB3 (0.41) ITGB3ITGAVITGA2BGAA
SCHEMBL4552119 0.71 GAA (0.43) ITGB3ITGAVITGA2BMCHR1GAA
SCHEMBL4428522 0.70 ITGB3 (0.40) ITGB3ITGAVITGA2BGAAF2R
SCHEMBL4428449 0.70 ITGB3 (0.42) ITGB3ITGAVITGA2BGAAF2R
SCHEMBL4426505 0.70 ITGB3 (0.44) ITGB3ITGAVITGA2BGAAF2R
SCHEMBL4434047 0.70 KMT2A (0.47) ITGB3ITGAVGAA
SCHEMBL4436976 0.70 ITGB3 (0.42) ITGB3ITGAVITGA2BGAAF2R

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
EP-1213288-B1 Propanoic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC (US) 2009-01-14 EP disclosed
US-6723711-B2 VASCULAR CELL ADHESION MOLECULES AND FIBRONECTINS; ASTHMA, MULTIPLE SCLEROSIS, ARTHRITIS, INFLAMMATORY BOWEL DISEASE, CONTACT HYPERSENSITIVITY, CARDIAC ALLOGRAFT REJECTION AND DIABETES TREATMENT TEXAS BIOTECHNOLOGY CORPORATION 2004-04-20 US disclosed
US-20030199692-A1 Propanoic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. 2003-10-23 US disclosed
EP-1189881-A4 PROPANOIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS TEXAS BIOTECHNOLOGY CORP (US) 2002-11-27 EP disclosed
WO-2000068188-A9 PROPANOIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS TEXAS BIOTECHNOLOGY CORP (US) 2002-08-29 WO disclosed
EP-1213288-A1 Propanoic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-06-12 EP disclosed
EP-1189881-A1 PROPANOIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-03-27 EP disclosed
WO-2000068188-A1 PROPANOIC 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 (1 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-20030199692-A1 Propanoic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 ITGB3 13/4885ITGAV 19/4885ITGA2B 27/4885

“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.