SCHEMBL5263208

SCHEMBL5263208

COC(=O)C(Cc1ccc(Nc2nccc3cnccc23)cc1)NC(=O)Nc1ccccc1S(=O)(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
TRPV1 Q8NER1 7/20 0.39
POLB P06746 1/20 0.38
ATM Q13315 2/20 0.37
NAMPT P43490 3/20 0.37
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
NLRP3 Q96P20 1/20 0.36
PPARG P37231 1/20 0.36
KCNA5 P22460 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP2C9 P11712 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
SCHEMBL5259205 1.00 CA12 (0.45) CA12CA1CA2CA9TRPV1
SCHEMBL5263406 0.95 CA12 (0.46) CA12CA1CA2CA9POLB
SCHEMBL5259961 0.95 CA12 (0.46) CA12CA1CA2CA9POLB
SCHEMBL5263503 0.92 MEN1 (0.43) TRPV1NAMPTPPARG
SCHEMBL5257785 0.92 MEN1 (0.43) TRPV1NAMPTPPARG
SCHEMBL5261813 0.88 CNR1 (0.42) CA12CA1CA2CA9TRPV1
SCHEMBL5261821 0.88 CNR1 (0.42) CA12CA1CA2CA9TRPV1
SCHEMBL5261276 0.87 MEN1 (0.46) NAMPTPPARGCYP2C9
SCHEMBL5261268 0.87 MEN1 (0.46) NAMPTPPARGCYP2C9
SCHEMBL5262991 0.86 TRPV1 (0.44) CA12CA1CA2CA9TRPV1

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 CA12 3901/4885CA1 2867/4885CA2 3343/4885
US-20070238763-A1 Urea derivatives as integrin a4 antagonists ITGB4, ITGA4, ITGB7 CA12 4395/4885CA1 3776/4885CA2 4510/4885

“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.