SCHEMBL4429245

SCHEMBL4429245

CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)c1cccc(OCC)c1)n1cc(C)cc(Cc2c(F)cccc2F)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 5/20 0.37
CASP1 P29466 4/20 0.37
FFAR1 O14842 3/20 0.34
ITGB3 P05106 1/20 0.34
ITGAV P06756 1/20 0.34
ITGB5 P18084 1/20 0.34
ITGB6 P18564 1/20 0.34
FPR1 P21462 2/20 0.33
CYP3A4 P08684 1/20 0.33
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
GNRHR P30968 1/20 0.32
CASP3 P42574 2/20 0.32
CASP7 P55210 2/20 0.32
CASP8 Q14790 2/20 0.32
ALDH1A1 P00352 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
SCHEMBL4426298 0.95 CASP1 (0.37) CTSACASP1FFAR1ITGB3ITGAV
SCHEMBL4425690 0.91 KMT2A (0.41) CTSACASP1ITGB3ITGAVALDH1A1
SCHEMBL4426307 0.90 CASP1 (0.39) CASP1FPR1CNR1CNR2ALDH1A1
SCHEMBL4430259 0.89 CTSA (0.43) CTSA
SCHEMBL6762167 0.86 CASP1 (0.34) CTSACASP1FFAR1FPR1CYP3A4
SCHEMBL4436912 0.85 SMN1; SMN2 (0.40) CASP1FPR1PTGESALOX5PPARG
SCHEMBL4430047 0.85 GNRHR (0.39) CTSAITGB3ITGAVITGB5GNRHR
SCHEMBL4436745 0.85 SMN1; SMN2 (0.41) CASP1FPR1PTGESALOX5PPARG
SCHEMBL4430105 0.84 CTSA (0.42) CTSA
SCHEMBL4424371 0.84 CTSA (0.40) CTSACYP3A4PPARGGNRHRALDH1A1

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 claimed
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 claimed
US-20030199692-A1 Propanoic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. 2003-10-23 US claimed
EP-1213288-A1 Propanoic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-06-12 EP claimed
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 CTSA 1318/4885CASP1 905/4885FFAR1 22/4885

“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.