SCHEMBL877150

SCHEMBL877150

CCC(C(=O)O)[C@@](O)(c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)c1cccc2cc(C(=O)NC)ccc12

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 8/20 0.38
SIRT2 Q8IXJ6 7/20 0.34
PLK1 P53350 1/20 0.34
KIF11 P52732 1/20 0.34
CYP17A1 P05093 1/20 0.34
CYP3A4 P08684 1/20 0.34
SCN9A Q15858 1/20 0.32

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
SCHEMBL313052 0.87 CYP17A1 (0.43) ACSS2SIRT2CYP17A1CYP3A4
SCHEMBL15385243 0.84 ACSS2 (0.38) ACSS2SIRT2PLK1KIF11CYP17A1
SCHEMBL313418 0.81 CYP17A1 (0.42) ACSS2SIRT2CYP17A1CYP3A4SCN9A
SCHEMBL312979 0.77 CYP17A1 (0.46) ACSS2SIRT2PLK1CYP17A1CYP3A4
SCHEMBL4031099 0.77 CYP17A1 (0.52) ACSS2SIRT2PLK1CYP17A1CYP3A4
SCHEMBL313157 0.76 CYP17A1 (0.45) ACSS2SIRT2PLK1CYP17A1CYP3A4
SCHEMBL313248 0.76 CYP17A1 (0.46) ACSS2SIRT2PLK1CYP17A1CYP3A4
SCHEMBL4024970 0.75 CYP17A1 (0.44) ACSS2SIRT2PLK1KIF11CYP17A1
SCHEMBL4023981 0.75 CYP17A1 (0.42) ACSS2SIRT2PLK1CYP17A1CYP3A4
SCHEMBL4033375 0.74 CYP17A1 (0.43) ACSS2SIRT2PLK1KIF11CYP17A1

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-20120077985-A1 PROCESS FOR PRODUCING FUSED IMIDAZOLE COMPOUND, REFORMATSKY REAGENT IN STABLE FORM, AND PROCESS FOR PRODUCING THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-29 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-20120077985-A1 PROCESS FOR PRODUCING FUSED IMIDAZOLE COMPOUND, REFORMATSKY REAGENT IN STABLE FORM, AND PROCESS FOR PRODUCING THE SAME CYP17A1, HSD17B7, HSD17B1 ACSS2 1983/4885SIRT2 3756/4885PLK1 3356/4885

“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.