SCHEMBL5259289

SCHEMBL5259289

COC(=O)[C@H](Cc1ccc(Oc2nccc3ccncc23)cc1)NC(=O)Nc1ccccc1S(=O)(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
PPARG P37231 2/20 0.40
TRPV1 Q8NER1 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ATM Q13315 2/20 0.38
BMP1 P13497 2/20 0.37
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
NLRP3 Q96P20 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL5259291 1.00 CA12 (0.42) CA12CA1CA2CA9PPARG
SCHEMBL5262991 0.95 TRPV1 (0.44) CA12CA1CA2CA9PPARG
SCHEMBL5262987 0.95 TRPV1 (0.44) CA12CA1CA2CA9PPARG
SCHEMBL5261648 0.93 MEN1 (0.46) PPARGMEN1KMT2AALDH1A1ALOX15
SCHEMBL5262880 0.93 MEN1 (0.46) PPARGMEN1KMT2AALDH1A1ALOX15
SCHEMBL5259747 0.88 MEN1 (0.43) PPARGTRPV1MEN1KMT2AALDH1A1
SCHEMBL5259734 0.88 MEN1 (0.43) PPARGTRPV1MEN1KMT2AALDH1A1
SCHEMBL5258818 0.88 NLRP3 (0.38) CA12CA1CA2CA9KMT2A
SCHEMBL5258815 0.88 NLRP3 (0.38) CA12CA1CA2CA9KMT2A
SCHEMBL5263406 0.86 CA12 (0.46) CA12CA1CA2CA9PPARG

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.