SCHEMBL5263364

SCHEMBL5263364

COC(=O)C(Cc1ccc(Nc2nccc3ccncc23)cc1)NC(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.42
CNR2 P34972 1/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
NAMPT P43490 4/20 0.38
NLRP3 Q96P20 3/20 0.38
CNR1 P21554 1/20 0.38
MAPT P10636 1/20 0.37
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
PTK2 Q05397 4/20 0.36
POLB P06746 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
SCHEMBL5262666 1.00 AXL (0.42) AXLCNR2CA12CA1CA2
SCHEMBL5261813 0.95 CNR1 (0.42) AXLCNR2CA12CA1CA2
SCHEMBL5261821 0.95 CNR1 (0.42) AXLCNR2CA12CA1CA2
SCHEMBL5258676 0.92 ITGA4 (0.43) AXLCNR2NAMPTCNR1ITGB1
SCHEMBL5258688 0.92 ITGA4 (0.43) AXLCNR2NAMPTCNR1ITGB1
SCHEMBL5259961 0.88 CA12 (0.46) CA12CA1CA2CA9NAMPT
SCHEMBL5263406 0.88 CA12 (0.46) CA12CA1CA2CA9NAMPT
SCHEMBL5258818 0.87 NLRP3 (0.38) AXLCNR2CA12CA1CA2
SCHEMBL5258815 0.87 NLRP3 (0.38) AXLCNR2CA12CA1CA2
SCHEMBL5259789 0.87 CNR1 (0.42) AXLCNR2NAMPTCNR1ITGB1

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 8 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
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 AXL 45/4885CNR2 2064/4885CA12 3901/4885
US-20070238763-A1 Urea derivatives as integrin a4 antagonists ITGB4, ITGA4, ITGB7 AXL 106/4885CNR2 4216/4885CA12 4395/4885

“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.