SCHEMBL4436896

SCHEMBL4436896

CCCC[C@H](C(=O)N[C@@H](CC(=O)O)c1ccc2c(c1)OCO2)n1cc(C)c(O)c(Cc2ccccc2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.40
ITGAV P06756 4/20 0.40
GAA P10253 1/20 0.39
ITGA2B P08514 8/20 0.37
ALDH1A1 P00352 1/20 0.37
CASP1 P29466 1/20 0.36
CASP3 P42574 1/20 0.36
CASP7 P55210 1/20 0.36
CASP8 Q14790 1/20 0.36
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
ITGB5 P18084 1/20 0.35
CTSA P10619 2/20 0.35
F2R P25116 1/20 0.35
FPR1 P21462 1/20 0.35
FPR2 P25090 1/20 0.35

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
SCHEMBL4429740 1.00 ITGB3 (0.40) ITGB3ITGAVGAAITGA2BALDH1A1
SCHEMBL4431178 0.87 ITGB3 (0.41) ITGB3ITGAVGAAITGA2BCASP1
SCHEMBL4436751 0.87 ITGB3 (0.41) ITGB3ITGAVGAAITGA2BCASP1
SCHEMBL7697653 0.87 ITGB3 (0.41) ITGB3ITGAVGAAITGA2BCASP1
SCHEMBL4428449 0.85 ITGB3 (0.42) ITGB3ITGAVGAAITGA2BTAS1R3
SCHEMBL4434014 0.84 ITGB3 (0.42) ITGB3ITGAVGAAITGA2BCASP1
SCHEMBL4436976 0.84 ITGB3 (0.42) ITGB3ITGAVGAAITGA2BCASP1
SCHEMBL4429228 0.83 GAA (0.39) ITGB3ITGAVGAAITGA2BTAS1R3
SCHEMBL4430045 0.83 GAA (0.40) ITGB3ITGAVGAAITGA2BALDH1A1
SCHEMBL4430042 0.83 GAA (0.40) ITGB3ITGAVGAAITGA2BALDH1A1

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 4 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-1213288-A1 Propanoic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-06-12 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 (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 19/4885GAA 1949/4885

“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.