SCHEMBL5259678

SCHEMBL5259678

O=C(Nc1ccccc1S(=O)(=O)N1CCCCC1)N[C@@H](Cc1ccc(Oc2nccc3cnccc23)cc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 8/20 0.42
CNR1 P21554 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ROCK2 O75116 2/20 0.40
ALDH1A1 P00352 1/20 0.40
JAK2 O60674 3/20 0.39
P2RX7 Q99572 4/20 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
SCHEMBL5262582 1.00 TRPV1 (0.42) TRPV1CNR1MEN1KMT2AROCK2
SCHEMBL5260825 0.95 MEN1 (0.42) TRPV1CNR1MEN1KMT2AALDH1A1
SCHEMBL5260839 0.95 MEN1 (0.42) TRPV1CNR1MEN1KMT2AALDH1A1
SCHEMBL5262979 0.93 CNR1 (0.42) TRPV1CNR1ROCK2ALDH1A1P2RX7
SCHEMBL5262982 0.93 CNR1 (0.42) TRPV1CNR1ROCK2ALDH1A1P2RX7
SCHEMBL5259734 0.88 MEN1 (0.43) TRPV1MEN1KMT2AALDH1A1JAK2
SCHEMBL5259747 0.88 MEN1 (0.43) TRPV1MEN1KMT2AALDH1A1JAK2
SCHEMBL5258818 0.88 NLRP3 (0.38) CNR1KMT2AALDH1A1P2RX7
SCHEMBL5258815 0.88 NLRP3 (0.38) CNR1KMT2AALDH1A1P2RX7
SCHEMBL5259789 0.86 CNR1 (0.42) TRPV1CNR1MEN1KMT2AROCK2

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 7 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

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 TRPV1 2394/4885CNR1 1275/4885MEN1 4288/4885
US-20070238763-A1 Urea derivatives as integrin a4 antagonists ITGB4, ITGA4, ITGB7 TRPV1 2476/4885CNR1 3848/4885MEN1 4689/4885

“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.