SCHEMBL6099288

SCHEMBL6099288

CCC(NC(=O)c1ccc(C(=N)N)cc1)C(=O)N1CCC([O])CC1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.57
ITGA2B P08514 19/20 0.57
CCR1 P32246 1/20 0.54

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
SCHEMBL8690900 0.87 ITGB3 (0.54) ITGB3ITGA2B
SCHEMBL7294041 0.85 ITGB3 (0.78) ITGB3ITGA2BCCR1
SCHEMBL8379088 0.85 ITGB3 (0.78) ITGB3ITGA2BCCR1
SCHEMBL8643931 0.85 ITGB3 (0.55) ITGB3ITGA2BCCR1
SCHEMBL6099449 0.84 ITGB3 (0.75) ITGB3ITGA2B
SCHEMBL4425018 0.84 ITGB3 (0.75) ITGB3ITGA2B
SCHEMBL8692845 0.84 ITGB3 (0.74) ITGB3ITGA2B
SCHEMBL7291927 0.82 ITGB3 (0.62) ITGB3ITGA2B
SCHEMBL8690974 0.81 ITGB3 (0.58) ITGB3ITGA2BCCR1
SCHEMBL8690912 0.79 ITGB3 (0.53) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109326-B2 Halo-alkoxycarbonyl prodrugs GENENTECH, INC. (US) 2006-09-19 US disclosed
EP-0975608-B1 HALO-ALKOXYCARBONYL PRODRUGS GENENTECH INC (US) 2005-06-15 EP disclosed
US-20040220401-A1 Novel halo-alkoxycarbonyl prodrugs GENENTECH, INC. 2004-11-04 US disclosed
US-20010020019-A1 NOVEL HALO-ALKOXYCARBONYL PRODRUGS GENENTECH, INC. 2001-09-06 US disclosed
EP-0975608-A2 HALO-ALKOXYCARBONYL PRODRUGS Genentech, Inc. (US) 2000-02-02 EP disclosed
WO-1998046576-A2 HALO-ALKOXYCARBONYL PRODRUGS GENENTECH, INC. (US) 1998-10-22 WO disclosed
US-5726185-A BINDING OF ADHESIVE PROTEINS TO BLOOD PLATELET AGGREGATION AND CELL TO CELL ADHESION HOFFMANN-LA ROCHE INC. (US) 1998-03-10 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 (2 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-20040220401-A1 Novel halo-alkoxycarbonyl prodrugs PNP, PAICS, PHOSPHO1 ITGB3 2194/4885ITGA2B 3070/4885CCR1 1250/4885
US-20010020019-A1 NOVEL HALO-ALKOXYCARBONYL PRODRUGS PNP, PAICS, PHOSPHO1 ITGB3 2194/4885ITGA2B 3070/4885CCR1 1250/4885

“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.