SCHEMBL15086003

SCHEMBL15086003

CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc2c(c1)CN(C)C(=O)[C@H](C(=O)O)N2

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.79
ITGAV P06756 20/20 0.79
ITGA2B P08514 1/20 0.79

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
SCHEMBL12009706 0.90 ITGB3 (0.67) ITGB3ITGAVITGA2B
SCHEMBL31321063 0.89 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL6946521 0.89 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL245523 0.89 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL13936150 0.88 ITGB3 (0.85) ITGB3ITGAVITGA2B
SCHEMBL8330074 0.86 ITGB3 (0.87) ITGB3ITGAVITGA2B
SCHEMBL8739433 0.85 ITGB3 (0.79) ITGB3ITGAVITGA2B
SCHEMBL8325096 0.83 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7077881 0.81 ITGB3 (0.73) ITGB3ITGAVITGA2B
SCHEMBL8327554 0.81 ITGB3 (0.85) ITGB3ITGAVITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130171074-A1 TARGETING COMPOUNDS THE SCRIPPS RESEARCH INSTITUTE (US) 2013-07-04 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-20130171074-A1 TARGETING COMPOUNDS CD47, CD22, FCGR2A ITGB3 446/4885ITGAV 169/4885ITGA2B 244/4885

“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.