SCHEMBL5225642

SCHEMBL5225642

CC(C)CN(CC(C)C)S(=O)(=O)N[C@@H](Cc1ccc(Nc2nccc3cnccc23)cc1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 7/20 0.36
ITGA4 P13612 7/20 0.36
NPR3 P17342 1/20 0.34
NTSR1 P30989 1/20 0.34
ITGB3 P05106 4/20 0.33
ITGAV P06756 4/20 0.33
ITGA2B P08514 1/20 0.33
PPARG P37231 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
MME P08473 1/20 0.32
ACE P12821 1/20 0.32
P2RX7 Q99572 2/20 0.32
P2RX3 P56373 1/20 0.32

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
SCHEMBL5255283 0.91 CA12 (0.37) HDAC3HDAC1HDAC6TRPV1P2RX7
SCHEMBL5228649 0.90 ITGB1 (0.37) ITGB1ITGA4NPR3NTSR1ITGB3
SCHEMBL5228794 0.89 ITGB1 (0.38) ITGB1ITGA4NPR3ITGB3ITGAV
SCHEMBL5226197 0.84 LCK (0.38) ITGB1ITGA4
SCHEMBL5229424 0.83 ITGB1 (0.37) ITGB1ITGA4ITGB3ITGA2BPPARG
SCHEMBL5255287 0.82 HDAC3 (0.34) HDAC3HDAC1HDAC6TRPV1P2RX7
SCHEMBL5257897 0.81 CA12 (0.36) ITGB1ITGA4HDAC3HDAC1HDAC6
SCHEMBL5259962 0.80 CA12 (0.35) HDAC3HDAC1HDAC6TRPV1P2RX7
SCHEMBL5149509 0.80 TRPV1 (0.39) ITGB1ITGA4NPR3NTSR1PPARG
SCHEMBL5227174 0.79 NAMPT (0.37) ITGB1ITGA4NPR3P2RX7P2RX3

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 1/4885NPR3 3182/4885

“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.