SCHEMBL5258161

SCHEMBL5258161

O=C(Nc1ccccc1C(=O)NC1CCCCC1)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 20/20 0.60
ITGB1 P05556 19/20 0.60
ITGB7 P26010 2/20 0.56
ITGA2 P17301 1/20 0.56

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
SCHEMBL5259549 1.00 ITGA4 (0.60) ITGA4ITGB1ITGB7ITGA2
SCHEMBL5257952 0.88 ITGA4 (0.58) ITGA4ITGB1ITGB7ITGA2
SCHEMBL5257956 0.88 ITGA4 (0.58) ITGA4ITGB1ITGB7ITGA2
SCHEMBL5258149 0.87 ITGB1 (0.71) ITGA4ITGB1ITGB7ITGA2
SCHEMBL5258142 0.87 ITGB1 (0.71) ITGA4ITGB1ITGB7ITGA2
SCHEMBL5257947 0.85 ITGB1 (0.59) ITGA4ITGB1ITGB7ITGA2
SCHEMBL5260051 0.84 ITGB1 (0.61) ITGA4ITGB1ITGB7ITGA2
SCHEMBL5260054 0.84 ITGB1 (0.61) ITGA4ITGB1ITGB7ITGA2
SCHEMBL5262689 0.83 ITGB1 (0.65) ITGA4ITGB1ITGB7ITGA2
SCHEMBL5260085 0.83 ITGB1 (0.65) ITGA4ITGB1ITGB7ITGA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1383750-B1 UREA DERIVATIVES AS INTEGRIN ALPHA 4 ANTAGONISTS ALMIRALL LAB (ES) 2007-09-26 EP claimed
US-7253171-B2 Urea derivatives as integrin α4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2007-08-07 US claimed
US-20040142982-A1 Urea derivatives as integrin alpha 4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2004-07-22 US claimed
EP-1383750-A2 UREA DERIVATIVES AS INTEGRIN ALPHA 4 ANTAGONISTS Almirall Prodesfarma, S.A. (ES) 2004-01-28 EP claimed
WO-2002057242-A2 UREA DERIVATIVES AS INTEGRIN ALPHA 4 ANTAGONISTS ALMIRALL PRODESFARMA, S.A. (ES) 2002-07-25 WO claimed
US-20070238763-A1 Urea derivatives as integrin a4 antagonists LABORATORIOS ALMIRALL, S.A. 2007-10-11 US disclosed
EP-1383750-B1 UREA DERIVATIVES AS INTEGRIN ALPHA 4 ANTAGONISTS ALMIRALL LAB (ES) 2007-09-26 EP disclosed
US-7253171-B2 Urea derivatives as integrin α4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2007-08-07 US disclosed
US-20040142982-A1 Urea derivatives as integrin alpha 4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2004-07-22 US 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 (2 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-20040142982-A1 Urea derivatives as integrin alpha 4 antagonists ITGA4, ITGB4, ITGA1 ITGA4 1/4885ITGB1 4/4885ITGB7 14/4885
US-20070238763-A1 Urea derivatives as integrin a4 antagonists ITGB4, ITGA4, ITGB7 ITGA4 2/4885ITGB1 5/4885ITGB7 3/4885

“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.