SCHEMBL5230320

SCHEMBL5230320

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

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.55
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
TYMS P04818 1/20 0.45
MMP2 P08253 6/20 0.44
MMP9 P14780 4/20 0.44
ADAMTS4 O75173 1/20 0.44
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MMP1 P03956 1/20 0.43
MMP3 P08254 1/20 0.43
MMP7 P09237 1/20 0.43
MMP13 P45452 1/20 0.43

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 0.82 MMP2 (0.58) MMP2MMP9ADAMTS4ALDH1A1L3MBTL1
SCHEMBL5230591 0.81 CA2 (0.51) CA2MEN1KMT2ATDP1TYMS
SCHEMBL8141491 0.80 TDP1 (0.72) CA2MEN1KMT2ATDP1MMP2
SCHEMBL8141494 0.80 TDP1 (0.72) CA2MEN1KMT2ATDP1MMP2
SCHEMBL8716108 0.80 CA2 (0.55) CA2MEN1KMT2ATDP1MMP2
SCHEMBL8716111 0.80 CA2 (0.55) CA2MEN1KMT2ATDP1MMP2
SCHEMBL1225145 0.79 CA2 (0.56) CA2MEN1KMT2ANPC1TP53
SCHEMBL13223715 0.79 CA2 (0.56) CA2MEN1KMT2ANPC1TP53
SCHEMBL15092902 0.79 CA2 (0.56) CA2MEN1KMT2ANPC1TP53
SCHEMBL8770343 0.79 ITGB3 (0.59) CA2MEN1KMT2ATDP1MMP2

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 2789/4885MEN1 4047/4885KMT2A 912/4885

“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.