SCHEMBL5260839

SCHEMBL5260839

O=C(Nc1ccccc1S(=O)(=O)N1CCCCC1)NC(Cc1ccc(Oc2nccc3ccncc23)cc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.41
ITGA4 P13612 6/20 0.40
ITGB1 P05556 5/20 0.40
JAK2 O60674 3/20 0.40
BDKRB2 P30411 1/20 0.38
CNR1 P21554 1/20 0.37
ALOX15 P16050 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
CNR2 P34972 1/20 0.36
GPR132 Q9UNW8 1/20 0.36
FPR2 P25090 1/20 0.36

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
SCHEMBL5260825 1.00 MEN1 (0.42) MEN1KMT2AALDH1A1ITGA4ITGB1
SCHEMBL5262582 0.95 TRPV1 (0.42) MEN1KMT2AALDH1A1JAK2CNR1
SCHEMBL5259678 0.95 TRPV1 (0.42) MEN1KMT2AALDH1A1JAK2CNR1
SCHEMBL5258818 0.93 NLRP3 (0.38) KMT2AALDH1A1BDKRB2CNR1CNR2
SCHEMBL5258815 0.93 NLRP3 (0.38) KMT2AALDH1A1BDKRB2CNR1CNR2
SCHEMBL5262979 0.88 CNR1 (0.42) ALDH1A1CNR1TRPV1
SCHEMBL5262982 0.88 CNR1 (0.42) ALDH1A1CNR1TRPV1
SCHEMBL5262880 0.88 MEN1 (0.46) MEN1KMT2AALDH1A1ITGA4ITGB1
SCHEMBL5261648 0.88 MEN1 (0.46) MEN1KMT2AALDH1A1ITGA4ITGB1
SCHEMBL5258688 0.86 ITGA4 (0.43) MEN1KMT2AALDH1A1ITGA4ITGB1

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 6 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-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

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 3371/4885ALDH1A1 708/4885
US-20070238763-A1 Urea derivatives as integrin a4 antagonists ITGB4, ITGA4, ITGB7 MEN1 4689/4885KMT2A 4075/4885ALDH1A1 702/4885

“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.