SCHEMBL13693003

SCHEMBL13693003

CCOc1cc2c(cc1OCC)CN(C(=O)Oc1ccc(C[C@H](NC(=O)c3ccccc3Cl)C(=O)O)cc1)C(CC#N)C2

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 15/20 0.56
ITGA4 P13612 13/20 0.56
ITGB7 P26010 11/20 0.56
ITGA5 P08648 2/20 0.42
ITGB3 P05106 1/20 0.42
ITGAV P06756 1/20 0.42
GLA P06280 2/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
ABCC2 Q92887 1/20 0.38
GLP1R P43220 3/20 0.37

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
SCHEMBL13692988 0.96 ITGB1 (0.53) ITGB1ITGA4ITGB7ITGA5ITGB3
SCHEMBL8279359 0.93 ITGB1 (0.57) ITGB1ITGA4ITGB7ITGA5ITGB3
SCHEMBL13609647 0.92 ITGB1 (0.45) ITGB1ITGA4ITGB7ITGA5GAA
SCHEMBL13609515 0.84 ITGB1 (0.46) ITGB1ITGA4ITGB7ALDH1A1
SCHEMBL13602014 0.84 ITGB1 (0.60) ITGB1ITGA4ITGB7ITGA5ITGB3
SCHEMBL8279363 0.81 ITGB1 (0.62) ITGB1ITGA4ITGB7ITGA5ITGB3
SCHEMBL13602018 0.74 ITGB1 (0.70) ITGB1ITGA4ITGB7
SCHEMBL14603027 0.73 ITGB1 (0.54) ITGB1ITGA4ITGB7
SCHEMBL13602106 0.72 ITGB1 (1.00) ITGB1ITGA4ITGB7ITGA5ITGB3
SCHEMBL13601998 0.72 ITGB1 (0.75) ITGB1ITGA4ITGB7ITGA5ITGB3

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-7595399-B2 Tyrosine derivatives GENENTECH, INC. (US) 2009-09-29 US disclosed
US-20080075719-A1 Method for Augmenting B Cell Depletion GENENTECH, INC. (US) 2008-03-27 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-20080075719-A1 Method for Augmenting B Cell Depletion CD22, ITGAM, FCGR3B ITGB1 8/4885ITGA4 25/4885ITGB7 21/4885

“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.