SCHEMBL5225554

SCHEMBL5225554

CC(C)(C)OC(=O)NS(=O)(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.58
ITGA4 P13612 20/20 0.58
ITGA2 P17301 1/20 0.56
ITGB7 P26010 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
SCHEMBL27543603 0.86 ITGB1 (0.69) ITGB1ITGA4ITGA2ITGB7
SCHEMBL6561608 0.86 ITGB1 (0.69) ITGB1ITGA4ITGA2ITGB7
SCHEMBL5254597 0.79 ITGB1 (0.60) ITGB1ITGA4ITGA2ITGB7
SCHEMBL14799578 0.79 ITGB1 (0.56) ITGB1ITGA4ITGA2ITGB7
SCHEMBL6561292 0.79 ITGB1 (0.56) ITGB1ITGA4ITGA2ITGB7
SCHEMBL5227929 0.79 ITGB1 (0.64) ITGB1ITGA4ITGA2ITGB7
SCHEMBL2987945 0.77 ITGB1 (0.54) ITGB1ITGA4ITGA2ITGB7
SCHEMBL2880989 0.77 ITGB1 (0.74) ITGB1ITGA4
SCHEMBL28833053 0.77 ITGB1 (0.59) ITGB1ITGA4ITGA2ITGB7
SCHEMBL28833054 0.77 ITGB1 (0.59) ITGB1ITGA4ITGA2ITGB7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1622867-B1 N-(2-PHENYLETHYL)SULFAMIDE DERIVATIVES AS INTEGRIN ALPHA4 ANTAGONISTS ALMIRALL LAB (ES) 2007-09-19 EP disclosed
US-20070179183-A1 N-(2-phenylethyl)sulfamide derivatives as integrin alpha4 antagonists ALMIRALL, S.A. (ES) 2007-08-02 US disclosed
EP-1622867-A1 N-(2-PHENYLETHYL)SULFAMIDE DERIVATIVES AS INTEGRIN ALPHA4 ANTAGONISTS Almirall Prodesfarma, S.A. (ES) 2006-02-08 EP disclosed
WO-2004099126-A1 N-(2-PHENYLETHYL)SULFAMIDE DERIVATIVES AS INTEGRIN α4 ANTAGONISTS ALMIRALL PRODESFARMA SA (ES) 2004-11-18 WO 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-20070179183-A1 N-(2-phenylethyl)sulfamide derivatives as integrin alpha4 antagonists ITGA4, ITGB4, ITGA2 ITGB1 9/4885ITGA4 1/4885ITGA2 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.