SCHEMBL5259281

SCHEMBL5259281

CN(C)C(=O)Oc1ccc(CC(NC(=O)Nc2ccccc2S(=O)(=O)c2ccccc2)C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
ALOX15 P16050 1/20 0.48
PPARG P37231 1/20 0.48
ITGB1 P05556 11/20 0.48
ITGA4 P13612 11/20 0.48
FPR2 P25090 2/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL5257606 1.00 ALDH1A1 (0.48) ALDH1A1ALOX15PPARGITGB1ITGA4
SCHEMBL5261098 0.93 CA12 (0.49) ALDH1A1ALOX15PPARGITGB1ITGA4
SCHEMBL5262420 0.93 CA12 (0.49) ALDH1A1ALOX15PPARGITGB1ITGA4
SCHEMBL5265251 0.82 ITGB1 (0.59) ALDH1A1ALOX15PPARGITGB1ITGA4
SCHEMBL5265258 0.82 ITGB1 (0.59) ALDH1A1ALOX15PPARGITGB1ITGA4
SCHEMBL5265844 0.81 ITGA4 (0.49) ALDH1A1ALOX15PPARGITGB1ITGA4
SCHEMBL5262214 0.81 ITGA4 (0.49) ALDH1A1ALOX15PPARGITGB1ITGA4
SCHEMBL3931950 0.80 ITGB1 (0.54) PPARGITGB1ITGA4
SCHEMBL6642120 0.79 ITGB1 (0.55) ALDH1A1ALOX15ITGB1ITGA4FPR2
SCHEMBL5259630 0.78 ITGA4 (0.66) 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 11 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
EP-1383750-A2 UREA DERIVATIVES AS INTEGRIN ALPHA 4 ANTAGONISTS Almirall Prodesfarma, S.A. (ES) 2004-01-28 EP claimed
WO-2002057242-A2 UREA DERIVATIVES AS INTEGRIN ALPHA 4 ANTAGONISTS ALMIRALL PRODESFARMA, S.A. (ES) 2002-07-25 WO 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 ALDH1A1 708/4885ALOX15 4759/4885PPARG 2397/4885
US-20070238763-A1 Urea derivatives as integrin a4 antagonists ITGB4, ITGA4, ITGB7 ALDH1A1 702/4885ALOX15 4479/4885PPARG 3240/4885

“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.