SCHEMBL4428511

SCHEMBL4428511

CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)c1ccc(-c2ccc(C)cc2)cc1)n1cc(C)cc(Cc2ccccc2Cl)c1=O

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSA P10619 16/20 0.39
FPR1 P21462 3/20 0.37
FPR2 P25090 2/20 0.37
CYP26A1 O43174 1/20 0.34

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 0.98 CTSA (0.39) CTSAFPR1FPR2CYP26A1
SCHEMBL6763118 0.98 CTSA (0.40) CTSAFPR1FPR2CYP26A1
SCHEMBL4426944 0.94 FPR1 (0.39) CTSAFPR1FPR2
SCHEMBL4435310 0.92 CTSA (0.37) CTSAFPR1FPR2CYP26A1
SCHEMBL4427912 0.91 FPR1 (0.41) CTSAFPR1FPR2
SCHEMBL4436967 0.90 CTSA (0.41) CTSAFPR1CYP26A1
SCHEMBL4431712 0.90 CTSA (0.41) CTSAFPR1CYP26A1
SCHEMBL4424318 0.90 CTSA (0.37) CTSAFPR1CYP26A1
SCHEMBL4426494 0.90 FPR1 (0.42) CTSAFPR1FPR2
SCHEMBL4423188 0.90 CTSA (0.40) CTSAFPR1FPR2CYP26A1

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.