SCHEMBL5229424

SCHEMBL5229424

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 4/20 0.37
ITGA4 P13612 4/20 0.37
ITGB3 P05106 2/20 0.37
ITGA2B P08514 2/20 0.37
PPARG P37231 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
NPY5R Q15761 1/20 0.36
P2RX7 Q99572 3/20 0.36
MAOB P27338 1/20 0.36
MME P08473 1/20 0.35
ACE P12821 1/20 0.35
CPA1 P15085 1/20 0.35
ACE2 Q9BYF1 1/20 0.35
FFAR1 O14842 1/20 0.35
KDM4C Q9H3R0 2/20 0.35
GPR132 Q9UNW8 1/20 0.35
TRPV1 Q8NER1 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
SCHEMBL5257627 0.92 CA12 (0.37) CYP3A4CYP2C9SCN5ASCN9ANPY5R
SCHEMBL5228936 0.90 ITGB3 (0.39) ITGB1ITGA4ITGB3ITGA2BPPARG
SCHEMBL5227139 0.89 ITGB1 (0.41) ITGB1ITGA4ITGB3ITGA2BPPARG
SCHEMBL5224364 0.84 CYP1A2 (0.39) ITGB1ITGA4ITGB3ITGA2BPPARG
SCHEMBL5225642 0.83 ITGB1 (0.36) ITGB1ITGA4ITGB3ITGA2BPPARG
SCHEMBL5256327 0.82 P2RX7 (0.37) CYP3A4CYP2C9SCN5ASCN9ANPY5R
SCHEMBL5259948 0.81 P2RX7 (0.38) ITGB1ITGA4CYP3A4CYP2C9SCN5A
SCHEMBL5257628 0.81 CYP3A4 (0.36) CYP3A4CYP2C9SCN5ASCN9ANPY5R
SCHEMBL5225880 0.79 P2RX7 (0.38) ITGB1ITGA4ITGB3ITGA2BPPARG
SCHEMBL5256634 0.78 CYP1A2 (0.38) ITGB1ITGA4CYP3A4CYP2C9P2RX7

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 ITGB1 9/4885ITGA4 1/4885ITGB3 14/4885

“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.