SCHEMBL6029072

SCHEMBL6029072

COc1cnn(C)c(=O)c1-c1ccc(C(C)(NC(=O)C(C(C)C)n2c(C)cc(C(=O)c3ccccc3)c2C)C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 20/20 0.43
ITGB7 P26010 20/20 0.43
ITGB1 P05556 8/20 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
SCHEMBL6029076 0.82 ITGA4 (0.61) ITGA4ITGB7ITGB1
SCHEMBL8280378 0.82 ITGA4 (0.61) ITGA4ITGB7ITGB1
SCHEMBL8280377 0.82 ITGA4 (0.54) ITGA4ITGB7ITGB1
SCHEMBL6030313 0.68 ITGA4 (0.72) ITGA4ITGB7ITGB1
SCHEMBL8280366 0.63 ITGA4 (0.54) ITGA4ITGB7ITGB1
SCHEMBL11487707 0.62 PTGS1 (0.47)
SCHEMBL11494090 0.61 NPC1 (0.55)
SCHEMBL11493396 0.61 NPC1 (0.55)
SCHEMBL11493399 0.61 NPC1 (0.55)
SCHEMBL11494573 0.61 ALDH1A1 (0.42)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720839-A1 PYRIDAZINONES AS ANTAGONISTS OF A4 INTEGRINS JANSSEN PHARMACEUTICA N.V. (BE) 2006-11-15 EP disclosed
US-20050192279-A1 Pyridazinones as antagonists of alpha4 integrins JANSSEN PHARAMACEUTICA, N.V. (BE) 2005-09-01 US disclosed
WO-2005077915-A1 PYRIDAZINONES AS ANTAGONISTS OF A4 INTEGRINS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-08-25 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 (1 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-20050192279-A1 Pyridazinones as antagonists of alpha4 integrins ITGB4, ITGA4, ITGB5 ITGA4 2/4885ITGB7 13/4885ITGB1 5/4885

“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.