SCHEMBL5228919

SCHEMBL5228919

CC(C)N(Cc1cccs1)S(=O)(=O)N[C@@H](Cc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 9/20 0.45
ITGB3 P05106 4/20 0.45
ITGAV P06756 4/20 0.45
ITGA2B P08514 3/20 0.45
ITGB5 P18084 2/20 0.45
ITGA4 P13612 7/20 0.44
MMP9 P14780 2/20 0.43
LMNA P02545 4/20 0.40
HTT P42858 3/20 0.40
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
HPGD P15428 1/20 0.39
CCR2 P41597 1/20 0.39
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL5259100 0.92 MAPT (0.39) ITGB1ITGB3ITGAVITGA2BITGB5
SCHEMBL5228966 0.85 ITGB1 (0.55) ITGB1ITGA4
SCHEMBL5254117 0.77 ITGB1 (0.47) ITGB1ITGA4
SCHEMBL5225515 0.75 ITGB1 (0.58) ITGB1ITGA4
SCHEMBL5226582 0.74 ITGB1 (0.58) ITGB1ITGA4
SCHEMBL5230340 0.74 ITGB1 (0.51) ITGB1ITGA4
SCHEMBL5228259 0.72 ITGB1 (0.61) ITGB1ITGA4
SCHEMBL5224626 0.71 ITGB1 (0.50) ITGB1ITGB3ITGAVITGA2BITGB5
SCHEMBL5227436 0.69 ITGB1 (0.64) ITGB1ITGA4
SCHEMBL5253434 0.68 ITGB1 (0.48) ITGB1ITGA4

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 9/4885ITGB3 14/4885ITGAV 8/4885

“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.