SCHEMBL4429175

SCHEMBL4429175

CCCCC(C(=O)N[C@@H](CC(=O)O)c1ccc2c(c1)OCO2)n1nc(C)cc(Cc2ccccc2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 9/20 0.48
FPR2 P25090 4/20 0.48
EDNRB P24530 2/20 0.42
ITGB3 P05106 1/20 0.41
ITGAV P06756 1/20 0.41
GAA P10253 1/20 0.40
CTSA P10619 1/20 0.40
EDNRA P25101 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
SCHEMBL7697653 0.86 ITGB3 (0.41) FPR1FPR2ITGB3ITGAVGAA
SCHEMBL4431178 0.86 ITGB3 (0.41) FPR1FPR2ITGB3ITGAVGAA
SCHEMBL4436751 0.86 ITGB3 (0.41) FPR1FPR2ITGB3ITGAVGAA
SCHEMBL4434014 0.84 ITGB3 (0.42) FPR1FPR2ITGB3ITGAVGAA
SCHEMBL4436976 0.84 ITGB3 (0.42) FPR1FPR2ITGB3ITGAVGAA
SCHEMBL4426938 0.84 ITGB3 (0.41) FPR1FPR2ITGB3ITGAVGAA
SCHEMBL4428449 0.82 ITGB3 (0.42) ITGB3ITGAVGAA
SCHEMBL4430045 0.81 GAA (0.40) ITGB3ITGAVGAA
SCHEMBL4430042 0.81 GAA (0.40) ITGB3ITGAVGAA
SCHEMBL4436896 0.81 ITGB3 (0.40) FPR1FPR2ITGB3ITGAVGAA

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 5 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
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

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 FPR1 40/4885FPR2 248/4885EDNRB 490/4885

“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.