SCHEMBL13716640

SCHEMBL13716640

CC(C)(C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)Nc1ccc(C(=N)N)cc1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.64
ITGA2B P08514 19/20 0.64
F7 P08709 1/20 0.47

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
SCHEMBL13716969 0.93 ITGB3 (0.55) ITGB3ITGA2B
SCHEMBL13744972 0.92 ITGB3 (0.61) ITGB3ITGA2BF7
SCHEMBL7321771 0.89 ITGB3 (0.71) ITGB3ITGA2B
SCHEMBL13744829 0.88 ITGB3 (0.65) ITGB3ITGA2BF7
SCHEMBL13717015 0.87 ITGB3 (0.63) ITGB3ITGA2BF7
SCHEMBL13716655 0.87 ITGB3 (0.46) ITGB3ITGA2B
SCHEMBL7304352 0.85 ITGB3 (0.66) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7308865 0.83 ITGB3 (0.60) ITGB3ITGA2B
SCHEMBL7307665 0.82 ITGB3 (0.60) ITGB3ITGA2BF7
SCHEMBL13716879 0.82 ITGB3 (0.54) ITGB3ITGA2B

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-7576071-B2 Antithrombotic compound SANOFI-AVENTIS (FR) 2009-08-18 US disclosed
US-20070293442-A1 ANTITHROMBOTIC COMPOUND SANOFI-AVENTIS (FR) 2007-12-20 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-20070293442-A1 ANTITHROMBOTIC COMPOUND F13B, SERPINC1, SELP ITGB3 66/4885ITGA2B 13/4885F7 127/4885

“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.