SCHEMBL16419909

SCHEMBL16419909

Cc1c(-c2ccc(C[C@H](NC(=O)C3(CCC(C)(C)C)CCCC3)C(=O)O)cc2)c(=O)n(C)c(=O)n1C

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 19/20 0.78
ITGA4 P13612 19/20 0.78
ITGB7 P26010 15/20 0.78

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
SCHEMBL5160689 0.88 ITGB1 (1.00) ITGB1ITGA4ITGB7
SCHEMBL15149714 0.87 ITGB1 (0.77) ITGB1ITGA4ITGB7
SCHEMBL15152258 0.87 ITGB1 (0.77) ITGB1ITGA4ITGB7
SCHEMBL15149391 0.85 ITGB1 (0.71) ITGB1ITGA4ITGB7
SCHEMBL15152299 0.85 ITGB1 (0.71) ITGB1ITGA4ITGB7
SCHEMBL16419910 0.84 ITGB1 (0.81) ITGB1ITGA4ITGB7
SCHEMBL20387808 0.83 ITGB1 (0.70) ITGB1ITGA4ITGB7
SCHEMBL15142822 0.82 ITGB1 (0.54) ITGB1ITGA4ITGB7
SCHEMBL5162175 0.81 ITGB1 (0.88) ITGB1ITGA4ITGB7
SCHEMBL5164143 0.78 ITGA4 (0.64) ITGB1ITGA4ITGB7

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-9447035-B2 Integrin antagonist conjugates for targeted delivery to cells expressing VLA-4 HOFFMANN-LA ROCHE INC. (US) 2016-09-20 US disclosed
US-20150031715-A1 INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING VLA-4 HOFFMANN-LA ROCHE INC. 2015-01-29 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-20150031715-A1 INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING VLA-4 ITGAV, ITGA1, ITGA4 ITGB1 6/4885ITGA4 3/4885ITGB7 19/4885

“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.