SCHEMBL4435231

SCHEMBL4435231

CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)c1cccc(-c2ccccc2)c1)n1cc(C)cc(Cc2ccccc2)c1=O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.38
FPR1 P21462 2/20 0.37
PPARG P37231 1/20 0.37
MMP2 P08253 10/20 0.37
MMP3 P08254 5/20 0.37
MMP1 P03956 4/20 0.35
CTSA P10619 3/20 0.35
TACR3 P29371 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
SCHEMBL4429239 1.00 CASP1 (0.38) CASP1FPR1PPARGMMP2MMP3
SCHEMBL7431479 1.00 CASP1 (0.38) CASP1FPR1PPARGMMP2MMP3
SCHEMBL4435258 0.93 CTSA (0.41) CASP1FPR1MMP2MMP3MMP1
SCHEMBL7429087 0.93 MMP2 (0.38) CASP1FPR1MMP2MMP3MMP1
SCHEMBL4427187 0.93 MMP2 (0.38) CASP1FPR1MMP2MMP3MMP1
SCHEMBL4424644 0.91 FPR1 (0.37) CASP1FPR1PPARGMMP2MMP3
SCHEMBL4429149 0.91 CYP26A1 (0.39) CASP1FPR1CTSA
SCHEMBL4436967 0.91 CTSA (0.41) FPR1MMP2MMP1CTSA
SCHEMBL4431712 0.91 CTSA (0.41) FPR1MMP2MMP1CTSA
SCHEMBL4435310 0.91 CTSA (0.37) CASP1FPR1PPARGMMP2MMP3

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 6 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-20030199692-A1 Propanoic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. 2003-10-23 US 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 CASP1 905/4885FPR1 40/4885PPARG 328/4885

“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.