SCHEMBL6150187

SCHEMBL6150187

CCN(CC)CCC1CCN(C(=O)CC[C@H](NC(=O)[C@H]2CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)C(=O)O)CC1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 17/20 0.51
ITGA4 P13612 17/20 0.51
ITGB7 P26010 2/20 0.47
ITGA2 P17301 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42

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
SCHEMBL6150180 1.00 ITGB1 (0.51) ITGB1ITGA4ITGB7ITGA2ITGB3
SCHEMBL6404038 0.92 ITGB1 (0.53) ITGB1ITGA4ITGB7ITGA2
SCHEMBL6404033 0.92 ITGB1 (0.53) ITGB1ITGA4ITGB7ITGA2
SCHEMBL6401876 0.88 ITGB1 (0.57) ITGB1ITGA4ITGB7ITGA2
SCHEMBL6401871 0.88 ITGB1 (0.57) ITGB1ITGA4ITGB7ITGA2
SCHEMBL6402671 0.87 ITGB1 (0.54) ITGB1ITGA4ITGB7ITGA2
SCHEMBL6402670 0.87 ITGB1 (0.54) ITGB1ITGA4ITGB7ITGA2
SCHEMBL6401826 0.86 ITGB1 (0.51) ITGB1ITGA4ITGB7
SCHEMBL6401823 0.86 ITGB1 (0.51) ITGB1ITGA4ITGB7
SCHEMBL6400323 0.86 ITGB1 (0.48) 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 4 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

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.