SCHEMBL312979

SCHEMBL312979

CNC(=O)c1ccc2cc([C@](O)(c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)C(C)C(=O)O)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 8/20 0.46
CYP3A4 P08684 8/20 0.46
ACSS2 Q9NR19 4/20 0.40
PTPN1 P18031 4/20 0.38
SIRT2 Q8IXJ6 2/20 0.35
PLK1 P53350 1/20 0.35
PLAU P00749 1/20 0.34

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
SCHEMBL4031099 0.93 CYP17A1 (0.52) CYP17A1CYP3A4ACSS2PTPN1SIRT2
SCHEMBL313157 0.91 CYP17A1 (0.45) CYP17A1CYP3A4ACSS2PTPN1SIRT2
SCHEMBL313248 0.89 CYP17A1 (0.46) CYP17A1CYP3A4ACSS2PTPN1SIRT2
SCHEMBL313052 0.88 CYP17A1 (0.43) CYP17A1CYP3A4ACSS2PTPN1SIRT2
SCHEMBL313418 0.87 CYP17A1 (0.42) CYP17A1CYP3A4ACSS2PTPN1SIRT2
SCHEMBL4025339 0.85 CYP17A1 (0.53) CYP17A1CYP3A4ACSS2PTPN1SIRT2
SCHEMBL4033446 0.84 CYP17A1 (0.45) CYP17A1CYP3A4ACSS2PTPN1SIRT2
SCHEMBL4028443 0.84 CYP17A1 (0.42) CYP17A1CYP3A4ACSS2PTPN1SIRT2
SCHEMBL4036889 0.84 CYP17A1 (0.45) CYP17A1CYP3A4ACSS2PTPN1SIRT2
SCHEMBL4027411 0.84 CYP3A4 (0.53) CYP17A1CYP3A4ACSS2PTPN1SIRT2

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-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
US-8093403-B2 Process for producing fused imidazole compound, reformatsky reagent in stable form, and process for producing the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-10 US disclosed
EP-2275411-A2 Reformatsky Reagent in Stable Form and Process for Producing the Same Takeda Pharmaceutical Company Limited (JP) 2011-01-19 EP disclosed
US-20100105922-A1 PROCESS FOR PRODUCING FUSED IMIDAZOLE COMPOUND, REFORMATSKY REAGENT IN STABLE FORM, AND PROCESS FOR PRODUCING THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 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 (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-20120077985-A1 PROCESS FOR PRODUCING FUSED IMIDAZOLE COMPOUND, REFORMATSKY REAGENT IN STABLE FORM, AND PROCESS FOR PRODUCING THE SAME CYP17A1, HSD17B7, HSD17B1 CYP17A1 1/4885CYP3A4 136/4885ACSS2 1983/4885
US-20100105922-A1 PROCESS FOR PRODUCING FUSED IMIDAZOLE COMPOUND, REFORMATSKY REAGENT IN STABLE FORM, AND PROCESS FOR PRODUCING THE SAME CYP17A1, HSD17B7, HSD17B1 CYP17A1 1/4885CYP3A4 136/4885ACSS2 1983/4885

“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.