SCHEMBL4435310

SCHEMBL4435310

CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)c1cccc(-c2ccccc2)c1)n1cc(C)cc(Cc2ccccc2Cl)c1=O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSA P10619 6/20 0.37
FPR1 P21462 4/20 0.36
FPR2 P25090 2/20 0.36
CASP1 P29466 2/20 0.36
PPARG P37231 1/20 0.35
PTGER3 P43115 2/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
CYP26A1 O43174 1/20 0.33
SUCNR1 Q9BXA5 2/20 0.33
TACR3 P29371 1/20 0.33

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
SCHEMBL4427906 0.94 CTSA (0.39) CTSAFPR1FPR2CASP1PPARG
SCHEMBL4426944 0.94 FPR1 (0.39) CTSAFPR1FPR2CASP1PPARG
SCHEMBL4426959 0.92 CTSA (0.36) CTSAFPR1FPR2CASP1PPARG
SCHEMBL4428511 0.92 CTSA (0.39) CTSAFPR1FPR2CYP26A1
SCHEMBL4426950 0.91 FPR1 (0.41) CTSAFPR1FPR2CASP1PTGER3
SCHEMBL7431479 0.91 CASP1 (0.38) CTSAFPR1CASP1PPARGMMP2
SCHEMBL4429239 0.91 CASP1 (0.38) CTSAFPR1CASP1PPARGMMP2
SCHEMBL4435231 0.91 CASP1 (0.38) CTSAFPR1CASP1PPARGMMP2
SCHEMBL6763118 0.91 CTSA (0.40) CTSAFPR1FPR2PTGER3CYP26A1
SCHEMBL4426779 0.90 FPR1 (0.37) CTSAFPR1FPR2CASP1PPARG

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 1318/4885FPR1 40/4885FPR2 248/4885

“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.