SCHEMBL4426733

SCHEMBL4426733

CCCC[C@H](C(=O)N[C@@H](CC(=O)O)c1ccc2c(c1)OCO2)n1cc(C)cc(Cc2ccc(F)cc2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
ITGB3 P05106 13/20 0.37
ITGA2B P08514 8/20 0.37
ITGAV P06756 6/20 0.37
KMT2A Q03164 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
ITGB5 P18084 1/20 0.35
ITGB6 P18564 1/20 0.35
ITGB8 P26012 1/20 0.35
F2R P25116 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 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
SCHEMBL14646928 1.00 GAA (0.39) GAAITGB3ITGA2BITGAVKMT2A
SCHEMBL4426734 1.00 GAA (0.39) GAAITGB3ITGA2BITGAVKMT2A
SCHEMBL4430045 0.95 GAA (0.40) GAAITGB3ITGA2BITGAVKMT2A
SCHEMBL4430042 0.95 GAA (0.40) GAAITGB3ITGA2BITGAVKMT2A
SCHEMBL4436751 0.93 ITGB3 (0.41) GAAITGB3ITGA2BITGAVTAS1R3
SCHEMBL7697653 0.93 ITGB3 (0.41) GAAITGB3ITGA2BITGAVTAS1R3
SCHEMBL4431178 0.93 ITGB3 (0.41) GAAITGB3ITGA2BITGAVTAS1R3
SCHEMBL4427920 0.93 GAA (0.39) GAAITGB3ITGA2BITGAVKMT2A
SCHEMBL4427923 0.93 GAA (0.39) GAAITGB3ITGA2BITGAVKMT2A
SCHEMBL14646935 0.93 GAA (0.39) GAAITGB3ITGA2BITGAVKMT2A

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-1189881-B2 PROPANOIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS ENCYSIVE PHARMACEUTICALS INC (US) 2013-01-23 EP disclosed
EP-1213288-B1 Propanoic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC (US) 2009-01-14 EP disclosed
EP-1189881-B1 PROPANOIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS TEXAS BIOTECHNOLOGY CORP (US) 2004-09-29 EP 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
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 GAA 1949/4885ITGB3 13/4885ITGA2B 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.