SCHEMBL6149667

SCHEMBL6149667

CN1CCN(C(=O)OCCC2CCN(C(=O)NC[C@H](NC(=O)[C@@H]3CCCN3S(=O)(=O)c3cc(Cl)cc(Cl)c3)C(=O)O)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 18/20 0.48
ITGA4 P13612 18/20 0.48
ITGA2 P17301 1/20 0.47
ITGB7 P26010 2/20 0.46
CASP1 P29466 1/20 0.40
APP P05067 1/20 0.39

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
SCHEMBL6152300 1.00 ITGB1 (0.48) ITGB1ITGA4ITGA2ITGB7CASP1
SCHEMBL6152295 1.00 ITGB1 (0.48) ITGB1ITGA4ITGA2ITGB7CASP1
SCHEMBL6149675 1.00 ITGB1 (0.48) ITGB1ITGA4ITGA2ITGB7CASP1
SCHEMBL6160547 0.98 ITGB1 (0.46) ITGB1ITGA4ITGA2ITGB7CASP1
SCHEMBL6401304 0.95 ITGA4 (0.49) ITGB1ITGA4ITGA2ITGB7
SCHEMBL6401299 0.95 ITGA4 (0.49) ITGB1ITGA4ITGA2ITGB7
SCHEMBL6402881 0.93 ITGB1 (0.49) ITGB1ITGA4ITGA2ITGB7
SCHEMBL6447885 0.93 ITGB1 (0.49) ITGB1ITGA4ITGA2ITGB7
SCHEMBL6404278 0.93 ITGB1 (0.49) ITGB1ITGA4ITGA2ITGB7
SCHEMBL6401480 0.89 ITGB1 (0.46) ITGB1ITGA4ITGA2ITGB7

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 6 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
EP-1495044-A1 HETEROCYCLIC AMIDES WITH ALPHA-4 INTEGRIN ANTAGONIST ACTIVITY J. Uriach y Compania S.A. (ES) 2005-01-12 EP claimed
WO-2003084984-A1 HETEROCYCLIC AMIDES WITH ALPHA-4 INTEGRIN ANTAGONIST ACTIVITY J. URIACH Y COMPANIA S.A. (ES) 2003-10-16 WO claimed
US-20050143391-A1 Heterocyclic amides with alpha-4 integrin antagonist activity J. Uriach Y Compañia S.A. (ES) 2005-06-30 US disclosed
EP-1495044-A1 HETEROCYCLIC AMIDES WITH ALPHA-4 INTEGRIN ANTAGONIST ACTIVITY J. Uriach y Compania S.A. (ES) 2005-01-12 EP disclosed
WO-2003084984-A1 HETEROCYCLIC AMIDES WITH ALPHA-4 INTEGRIN ANTAGONIST ACTIVITY J. URIACH Y COMPANIA S.A. (ES) 2003-10-16 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-20050143391-A1 Heterocyclic amides with alpha-4 integrin antagonist activity ITGB4, ITGA4, ITGA1 ITGB1 4/4885ITGA4 2/4885ITGA2 7/4885

“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.