Sugi Predict

Sugi Predict / Compounds / SCHEMBL5224364

SCHEMBL5224364

SCHEMBL5224364

CC(C)N(C1CCCCC1)S(=O)(=O)N[C@@H](Cc1ccc(Oc2nccc3cnccc23)cc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ITGB1 P05556 6/20 0.38
▸ ITGA4 P13612 6/20 0.38
▸ ITGB7 P26010 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ P2RX7 Q99572 4/20 0.36
▸ CPB2 Q96IY4 1/20 0.35
▸ ITGB3 P05106 2/20 0.35
▸ ITGA2B P08514 2/20 0.35
▸ PPARG P37231 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ F2 P00734 2/20 0.35
▸ PRSS1 P07477 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
SCHEMBL5256634 0.94 CYP1A2 (0.38) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL5228936 0.87 ITGB3 (0.39) CYP3A4CYP2C9ITGB1ITGA4ITGB7
SCHEMBL5227139 0.86 ITGB1 (0.41) MAPTITGB1ITGA4SMN1; SMN2P2RX7
SCHEMBL5226197 0.85 LCK (0.38) MEN1MAPTKMT2AITGB1ITGA4
SCHEMBL5229424 0.84 ITGB1 (0.37) CYP3A4CYP2C9ITGB1ITGA4P2RX7
SCHEMBL5256637 0.84 CYP3A4 (0.37) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL5225880 0.82 P2RX7 (0.38) ITGB1ITGA4ITGB7SMN1; SMN2P2RX7
SCHEMBL5255316 0.80 LCK (0.37) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL5256327 0.79 P2RX7 (0.37) CYP3A4CYP2C9P2RX7
SCHEMBL5259948 0.78 P2RX7 (0.38) CYP3A4CYP2C9MAPTITGB1ITGA4

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 6 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-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 CYP1A2 3204/4885CYP3A4 673/4885CYP2C9 2873/4885

“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.