SCHEMBL23336325

SCHEMBL23336325

CNCc1ccc(NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.62
NAMPT P43490 3/20 0.51
MAPK14 Q16539 1/20 0.51
AURKA O14965 1/20 0.48
RPS6KB1 P23443 1/20 0.48
DRD2 P14416 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
PSMB8 P28062 1/20 0.46
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
MAPKAPK2 P49137 2/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
GLS O94925 1/20 0.45

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
SCHEMBL132701 0.88 CYP17A1 (0.76) CYP17A1NAMPTMAPK14DRD2PTGDR2
SCHEMBL31016329 0.86 CYP17A1 (0.57) CYP17A1NAMPTMAPK14AURKARPS6KB1
SCHEMBL17744946 0.86 CYP17A1 (0.57) CYP17A1NAMPTMAPK14AURKARPS6KB1
SCHEMBL16523129 0.84 CYP17A1 (0.56) CYP17A1NAMPTMAPK14AURKARPS6KB1
SCHEMBL13055402 0.84 CYP17A1 (0.59) CYP17A1NAMPTMAPK14DRD2PTGDR2
SCHEMBL12685839 0.83 L3MBTL1 (0.56) CYP17A1NAMPTHDAC1HDAC6GAA
SCHEMBL10361607 0.83 CYP17A1 (0.61) CYP17A1NAMPTMAPK14DRD2PTGDR2
SCHEMBL245094 0.83 CYP17A1 (0.61) CYP17A1NAMPTMAPK14AURKARPS6KB1
SCHEMBL6195004 0.83 CYP17A1 (0.61) CYP17A1NAMPTMAPK14AURKARPS6KB1
SCHEMBL8245694 0.83 CYP17A1 (0.54) CYP17A1NAMPTMAPK14AURKARPS6KB1

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-20260102501-A1 ANTI-CANCER NUCLEAR HORMONE RECEPTOR-TARGETING COMPOUNDS NUVATION BIO INC (US) 2026-04-16 US disclosed
EP-4593824-A2 ANTI-CANCER NUCLEAR HORMONE RECEPTOR-TARGETING COMPOUNDS Nuvation Bio Inc. (US) 2025-08-06 EP disclosed
WO-2021188948-A1 MDM2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-09-23 WO disclosed
EP-3057956-B1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA FARBER CANCER INST INC (US) 2021-05-05 EP 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-20260102501-A1 ANTI-CANCER NUCLEAR HORMONE RECEPTOR-TARGETING COMPOUNDS NR5A1, NR5A2, NR3C1 CYP17A1 61/4885NAMPT 3970/4885MAPK14 2730/4885

“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.