SCHEMBL5262979

SCHEMBL5262979

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

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.42
TRPV1 Q8NER1 10/20 0.40
P2RX7 Q99572 4/20 0.39
ROCK2 O75116 2/20 0.38
NLRP3 Q96P20 1/20 0.38
ALDH1A1 P00352 1/20 0.37
NAMPT P43490 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
SCHEMBL5262982 1.00 CNR1 (0.42) CNR1TRPV1P2RX7ROCK2NLRP3
SCHEMBL5258818 0.95 NLRP3 (0.38) CNR1P2RX7NLRP3ALDH1A1NAMPT
SCHEMBL5258815 0.95 NLRP3 (0.38) CNR1P2RX7NLRP3ALDH1A1NAMPT
SCHEMBL5262582 0.93 TRPV1 (0.42) CNR1TRPV1P2RX7ROCK2ALDH1A1
SCHEMBL5259678 0.93 TRPV1 (0.42) CNR1TRPV1P2RX7ROCK2ALDH1A1
SCHEMBL5260839 0.88 MEN1 (0.42) CNR1TRPV1ALDH1A1
SCHEMBL5260825 0.88 MEN1 (0.42) CNR1TRPV1ALDH1A1
SCHEMBL5262991 0.88 TRPV1 (0.44) TRPV1P2RX7
SCHEMBL5262987 0.88 TRPV1 (0.44) TRPV1P2RX7
SCHEMBL5261813 0.87 CNR1 (0.42) CNR1TRPV1P2RX7ROCK2NLRP3

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 CNR1 1275/4885TRPV1 2394/4885P2RX7 573/4885
US-20070238763-A1 Urea derivatives as integrin a4 antagonists ITGB4, ITGA4, ITGB7 CNR1 3848/4885TRPV1 2476/4885P2RX7 168/4885

“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.