SCHEMBL4429149

SCHEMBL4429149

CCCCC(C(=O)N[C@@H](CC(=O)O)c1cccc(F)c1)n1cc(C)cc(Cc2ccccc2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 1/20 0.39
ITGB3 P05106 6/20 0.38
ITGAV P06756 6/20 0.38
CTSA P10619 5/20 0.38
FPR1 P21462 4/20 0.37
CASP1 P29466 2/20 0.36
CNR2 P34972 1/20 0.35
ITGB5 P18084 1/20 0.34
ITGB6 P18564 1/20 0.34
ITGB8 P26012 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
SCHEMBL4426341 0.94 CTSA (0.35) CTSAFPR1CASP1
SCHEMBL7429087 0.93 MMP2 (0.38) CTSAFPR1CASP1
SCHEMBL4427187 0.93 MMP2 (0.38) CTSAFPR1CASP1
SCHEMBL4424644 0.92 FPR1 (0.37) CYP26A1CTSAFPR1CASP1
SCHEMBL4430603 0.92 CTSA (0.39) CTSAFPR1
SCHEMBL8517291 0.92 CTSA (0.39) CTSAFPR1
SCHEMBL4430605 0.92 CTSA (0.39) CTSAFPR1
SCHEMBL4435231 0.91 CASP1 (0.38) CTSAFPR1CASP1
SCHEMBL4429239 0.91 CASP1 (0.38) CTSAFPR1CASP1
SCHEMBL7431479 0.91 CASP1 (0.38) CTSAFPR1CASP1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CYP26A1 1075/4885ITGB3 13/4885ITGAV 19/4885

“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.