SCHEMBL5228936

SCHEMBL5228936

CC(C)N(C(C)C)S(=O)(=O)N[C@@H](Cc1ccc(Oc2nccc3cnccc23)cc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39
ITGB1 P05556 4/20 0.39
ITGA4 P13612 4/20 0.39
PPARG P37231 1/20 0.39
NPY5R Q15761 1/20 0.38
P2RX7 Q99572 4/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
FFAR1 O14842 1/20 0.36
GPR132 Q9UNW8 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
DRD1 P21728 1/20 0.35
ITGB7 P26010 1/20 0.35
MAOB P27338 1/20 0.35
ACACB O00763 1/20 0.35

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
SCHEMBL5256327 0.92 P2RX7 (0.37) NPY5RP2RX7CYP3A4CYP2C9SCN5A
SCHEMBL5227139 0.92 ITGB1 (0.41) ITGB3ITGA2BITGB1ITGA4PPARG
SCHEMBL5229424 0.90 ITGB1 (0.37) ITGB3ITGA2BITGB1ITGA4PPARG
SCHEMBL5224364 0.87 CYP1A2 (0.39) ITGB3ITGA2BITGB1ITGA4PPARG
SCHEMBL5259948 0.84 P2RX7 (0.38) ITGB1ITGA4NPY5RP2RX7CYP3A4
SCHEMBL5228649 0.83 ITGB1 (0.37) ITGB3ITGA2BITGB1ITGA4PPARG
SCHEMBL5257627 0.82 CA12 (0.37) NPY5RP2RX7CYP3A4CYP2C9SCN5A
SCHEMBL5225880 0.81 P2RX7 (0.38) ITGB3ITGA2BITGB1ITGA4PPARG
SCHEMBL5256333 0.80 FFAR1 (0.37) NPY5RP2RX7CYP3A4CYP2C9SCN5A
SCHEMBL5256634 0.80 CYP1A2 (0.38) ITGB1ITGA4P2RX7CYP3A4CYP2C9

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-1622867-B1 N-(2-PHENYLETHYL)SULFAMIDE DERIVATIVES AS INTEGRIN ALPHA4 ANTAGONISTS ALMIRALL LAB (ES) 2007-09-19 EP claimed
US-20070179183-A1 N-(2-phenylethyl)sulfamide derivatives as integrin alpha4 antagonists ALMIRALL, S.A. (ES) 2007-08-02 US claimed
EP-1622867-A1 N-(2-PHENYLETHYL)SULFAMIDE DERIVATIVES AS INTEGRIN ALPHA4 ANTAGONISTS Almirall Prodesfarma, S.A. (ES) 2006-02-08 EP claimed
WO-2004099126-A1 N-(2-PHENYLETHYL)SULFAMIDE DERIVATIVES AS INTEGRIN α4 ANTAGONISTS ALMIRALL PRODESFARMA SA (ES) 2004-11-18 WO claimed
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 ITGB3 14/4885ITGA2B 12/4885ITGB1 9/4885

“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.