SCHEMBL5262001

SCHEMBL5262001

NC(Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.72
ITGA4 P13612 20/20 0.72

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
SCHEMBL2876599 1.00 ITGB1 (0.72) ITGB1ITGA4
Hydrochloric Acid SCHEMBL5670071 0.99 ITGB1 (0.70) ITGB1ITGA4
Hydrochloric Acid SCHEMBL2987252 0.99 ITGB1 (0.70) ITGB1ITGA4
Chloromethane SCHEMBL5263090 0.97 ITGB1 (0.69) ITGB1ITGA4
SCHEMBL27605844 0.88 ITGB1 (0.62) ITGB1ITGA4
SCHEMBL27515653 0.87 ITGB1 (0.64) ITGB1ITGA4
SCHEMBL5230799 0.87 ITGB1 (0.64) ITGB1ITGA4
SCHEMBL4514318 0.86 ITGB1 (0.61) ITGB1ITGA4
SCHEMBL5260189 0.86 ITGB1 (0.61) ITGB1ITGA4
Hydrochloric Acid SCHEMBL5224621 0.86 ITGB1 (0.63) ITGB1ITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20070238763-A1 Urea derivatives as integrin a4 antagonists ITGB4, ITGA4, ITGB7 ITGB1 5/4885ITGA4 2/4885

“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.