SCHEMBL5230591

SCHEMBL5230591

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.51
TDP1 Q9NUW8 1/20 0.46
ITGB3 P05106 2/20 0.45
ITGA2B P08514 2/20 0.45
MMP2 P08253 5/20 0.45
MMP9 P14780 4/20 0.45
ADAMTS4 O75173 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
POLB P06746 1/20 0.43
MME P08473 1/20 0.43
TYMS P04818 1/20 0.42
CPB2 Q96IY4 1/20 0.42

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
SCHEMBL7290720 0.87 MMP2 (0.58) MMP2MMP9ADAMTS4L3MBTL1ALDH1A1
SCHEMBL5230320 0.81 CA2 (0.55) CA2TDP1MMP2MMP9ADAMTS4
SCHEMBL8713394 0.77 CA2 (0.51) CA2TDP1ITGB3ITGA2BMMP2
SCHEMBL8713387 0.77 CA2 (0.51) CA2TDP1ITGB3ITGA2BMMP2
SCHEMBL8713009 0.77 ITGB3 (0.67) CA2TDP1ITGB3ITGA2BMMP2
SCHEMBL8713012 0.77 ITGB3 (0.67) CA2TDP1ITGB3ITGA2BMMP2
SCHEMBL1093903 0.77 CA2 (0.52) CA2ITGB3ITGA2BL3MBTL1MME
SCHEMBL1093901 0.77 CA2 (0.52) CA2ITGB3ITGA2BL3MBTL1MME
SCHEMBL30404207 0.77 CA2 (0.52) CA2ITGB3ITGA2BL3MBTL1MME
SCHEMBL7087164 0.76 ITGB3 (0.65) CA2ITGB3ITGA2BMMP2MMP9

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 CA2 2789/4885TDP1 4812/4885ITGB3 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.