SCHEMBL5259789

SCHEMBL5259789

O=C(Nc1ccccc1S(=O)(=O)N1CCCCC1)N[C@@H](Cc1ccc(Nc2nccc3cnccc23)cc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.42
AXL P30530 1/20 0.42
TRPV1 Q8NER1 7/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ROCK2 O75116 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ITGA4 P13612 4/20 0.40
ITGB1 P05556 3/20 0.40
CNR2 P34972 1/20 0.40
NAMPT P43490 1/20 0.38

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
SCHEMBL5259794 1.00 CNR1 (0.42) CNR1AXLTRPV1MEN1KMT2A
SCHEMBL5258688 0.95 ITGA4 (0.43) CNR1AXLMEN1KMT2AROCK2
SCHEMBL5258676 0.95 ITGA4 (0.43) CNR1AXLMEN1KMT2AROCK2
SCHEMBL5261821 0.92 CNR1 (0.42) CNR1AXLTRPV1ROCK2CNR2
SCHEMBL5261813 0.92 CNR1 (0.42) CNR1AXLTRPV1ROCK2CNR2
SCHEMBL5263503 0.88 MEN1 (0.43) TRPV1MEN1KMT2AITGA4ITGB1
SCHEMBL5257785 0.88 MEN1 (0.43) TRPV1MEN1KMT2AITGA4ITGB1
SCHEMBL5263364 0.87 AXL (0.42) CNR1AXLITGA4ITGB1CNR2
SCHEMBL5262666 0.87 AXL (0.42) CNR1AXLITGA4ITGB1CNR2
SCHEMBL5262582 0.86 TRPV1 (0.42) CNR1TRPV1MEN1KMT2AROCK2

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 CNR1 1275/4885AXL 45/4885TRPV1 2394/4885
US-20070238763-A1 Urea derivatives as integrin a4 antagonists ITGB4, ITGA4, ITGB7 CNR1 3848/4885AXL 106/4885TRPV1 2476/4885

“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.