SCHEMBL6402670

SCHEMBL6402670

CCNCC1CCN(C(=O)CC[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)C(=O)O)CC1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 18/20 0.54
ITGA4 P13612 18/20 0.54
ITGB7 P26010 3/20 0.49
ITGA2 P17301 1/20 0.44

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
SCHEMBL6402671 1.00 ITGB1 (0.54) ITGB1ITGA4ITGB7ITGA2
SCHEMBL6402342 0.90 ITGB1 (0.52) ITGB1ITGA4ITGB7ITGA2
SCHEMBL6149493 0.90 ITGB1 (0.52) ITGB1ITGA4ITGB7ITGA2
SCHEMBL6149489 0.90 ITGB1 (0.52) ITGB1ITGA4ITGB7ITGA2
SCHEMBL6157149 0.90 ITGB1 (0.52) ITGB1ITGA4ITGB7ITGA2
SCHEMBL6401871 0.89 ITGB1 (0.57) ITGB1ITGA4ITGB7ITGA2
SCHEMBL6401876 0.89 ITGB1 (0.57) ITGB1ITGA4ITGB7ITGA2
SCHEMBL6404033 0.89 ITGB1 (0.53) ITGB1ITGA4ITGB7ITGA2
SCHEMBL6156368 0.89 ITGB1 (0.51) ITGB1ITGA4ITGB7ITGA2
SCHEMBL6156360 0.89 ITGB1 (0.51) ITGB1ITGA4ITGB7ITGA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050143391-A1 Heterocyclic amides with alpha-4 integrin antagonist activity J. Uriach Y Compañia S.A. (ES) 2005-06-30 US claimed
US-20050143391-A1 Heterocyclic amides with alpha-4 integrin antagonist activity J. Uriach Y Compañia S.A. (ES) 2005-06-30 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 (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-20050143391-A1 Heterocyclic amides with alpha-4 integrin antagonist activity ITGB4, ITGA4, ITGA1 ITGB1 4/4885ITGA4 2/4885ITGB7 15/4885

“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.