SCHEMBL6099449

SCHEMBL6099449

N=C(N)c1ccc(C(=O)NC(Cc2ccc(O)cc2)C(=O)N2CCC([O])CC2)cc1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.75
ITGA2B P08514 14/20 0.75
F2 P00734 1/20 0.47
PLG P00747 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
TPSAB1 Q15661 1/20 0.47
TPSD1 Q9BZJ3 1/20 0.47
TPSG1 Q9NRR2 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CYP51A1 Q16850 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
SCHEMBL4425018 1.00 ITGB3 (0.75) ITGB3ITGA2BF2PLGPRSS1
SCHEMBL8650015 0.89 ITGB3 (0.73) ITGB3ITGA2BF2PLGPRSS1
SCHEMBL5820899 0.88 ITGB3 (0.67) ITGB3ITGA2BCA1CA2CYP51A1
SCHEMBL7291927 0.87 ITGB3 (0.62) ITGB3ITGA2BF2PLGPRSS1
SCHEMBL13933091 0.87 ITGB3 (0.83) ITGB3ITGA2BF2PLGPRSS1
SCHEMBL8020868 0.87 ITGB3 (0.75) ITGB3ITGA2BF2PLGPRSS1
Lamifiban SCHEMBL871446 0.86 ITGB3 (1.00) ITGB3ITGA2BF2PLGPRSS1
Lamifiban SCHEMBL4683 0.86 ITGB3 (1.00) ITGB3ITGA2BF2PLGPRSS1
SCHEMBL8689958 0.85 ITGB3 (0.73) ITGB3ITGA2BF2PLGPRSS1
SCHEMBL6099288 0.84 ITGB3 (0.57) 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 4 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

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 3070/4885F2 4407/4885
US-20010020019-A1 NOVEL HALO-ALKOXYCARBONYL PRODRUGS PNP, PAICS, PHOSPHO1 ITGB3 2194/4885ITGA2B 3070/4885F2 4407/4885

“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.