SCHEMBL5261276

SCHEMBL5261276

O=C(Nc1ccccc1S(=O)(=O)c1ccccc1)NC(Cc1ccc(Nc2nccc3ccncc23)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ITGB1 P05556 5/20 0.40
ITGA4 P13612 5/20 0.40
FPR2 P25090 9/20 0.39
PPARG P37231 1/20 0.39
NAMPT P43490 3/20 0.38
CYP2C9 P11712 1/20 0.37

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
SCHEMBL5261268 1.00 MEN1 (0.46) MEN1KMT2AITGB1ITGA4FPR2
SCHEMBL5257785 0.94 MEN1 (0.43) MEN1KMT2AITGB1ITGA4FPR2
SCHEMBL5263503 0.94 MEN1 (0.43) MEN1KMT2AITGB1ITGA4FPR2
SCHEMBL5263406 0.92 CA12 (0.46) MEN1KMT2APPARGNAMPTCYP2C9
SCHEMBL5259961 0.92 CA12 (0.46) MEN1KMT2APPARGNAMPTCYP2C9
SCHEMBL5258688 0.88 ITGA4 (0.43) MEN1KMT2AITGB1ITGA4FPR2
SCHEMBL5258676 0.88 ITGA4 (0.43) MEN1KMT2AITGB1ITGA4FPR2
SCHEMBL5263208 0.87 CA12 (0.45) PPARGNAMPTCYP2C9
SCHEMBL5259205 0.87 CA12 (0.45) PPARGNAMPTCYP2C9
SCHEMBL5261648 0.85 MEN1 (0.46) MEN1KMT2AITGB1ITGA4FPR2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1383750-B1 UREA DERIVATIVES AS INTEGRIN ALPHA 4 ANTAGONISTS ALMIRALL LAB (ES) 2007-09-26 EP claimed
US-7253171-B2 Urea derivatives as integrin α4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2007-08-07 US claimed
US-20040142982-A1 Urea derivatives as integrin alpha 4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2004-07-22 US claimed
US-20070238763-A1 Urea derivatives as integrin a4 antagonists LABORATORIOS ALMIRALL, S.A. 2007-10-11 US disclosed
EP-1383750-B1 UREA DERIVATIVES AS INTEGRIN ALPHA 4 ANTAGONISTS ALMIRALL LAB (ES) 2007-09-26 EP disclosed
US-7253171-B2 Urea derivatives as integrin α4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2007-08-07 US disclosed
US-20040142982-A1 Urea derivatives as integrin alpha 4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2004-07-22 US disclosed
EP-1383750-A2 UREA DERIVATIVES AS INTEGRIN ALPHA 4 ANTAGONISTS Almirall Prodesfarma, S.A. (ES) 2004-01-28 EP disclosed
WO-2002057242-A2 UREA DERIVATIVES AS INTEGRIN ALPHA 4 ANTAGONISTS ALMIRALL PRODESFARMA, S.A. (ES) 2002-07-25 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 (2 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-20040142982-A1 Urea derivatives as integrin alpha 4 antagonists ITGA4, ITGB4, ITGA1 MEN1 4288/4885KMT2A 3371/4885ITGB1 4/4885
US-20070238763-A1 Urea derivatives as integrin a4 antagonists ITGB4, ITGA4, ITGB7 MEN1 4689/4885KMT2A 4075/4885ITGB1 5/4885

“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.