SCHEMBL4436779

SCHEMBL4436779

CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)c1ccc2c(c1)OCO2)N1CC(=O)N(Cc2cccs2)[C@@H](Cc2ccccc2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.39
ITGAV P06756 7/20 0.39
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
ITGA2B P08514 5/20 0.35
GAA P10253 1/20 0.35
MCHR1 Q99705 2/20 0.35
CTSD P07339 2/20 0.35
REN P00797 1/20 0.35
ALDH1A1 P00352 1/20 0.34
F2R P25116 1/20 0.34

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
SCHEMBL4436784 0.86 ITGB3 (0.39) ITGB3ITGAVITGA2BGAAMCHR1
SCHEMBL4429747 0.83 POLB (0.39) ITGB3ITGAVPOLBHPGDITGA2B
SCHEMBL4428468 0.81 POLB (0.43) ITGB3ITGAVPOLBHPGDITGA2B
SCHEMBL4431181 0.81 POLB (0.40) ITGB3ITGAVPOLBHPGDITGA2B
SCHEMBL4426829 0.80 POLB (0.42) ITGB3ITGAVPOLBHPGDITGA2B
SCHEMBL4427904 0.80 POLB (0.42) ITGB3ITGAVPOLBHPGDITGA2B
SCHEMBL7691977 0.75 POLB (0.41) ITGB3ITGAVPOLBHPGDITGA2B
SCHEMBL4428450 0.74 POLB (0.41) ITGB3ITGAVPOLBHPGDITGA2B
SCHEMBL4552119 0.74 GAA (0.43) ITGB3ITGAVITGA2BGAAMCHR1
SCHEMBL4428312 0.73 ITGB3 (0.41) ITGB3ITGAVITGA2BGAA

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 19/4885POLB 4396/4885

“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.