SCHEMBL25547892

SCHEMBL25547892

CC(=O)c1ncc(NC(=O)OC(C)(C)C)cn1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 3/20 0.44
NAMPT P43490 1/20 0.44
PSMB8 P28062 1/20 0.41
MAPKAPK2 P49137 6/20 0.41
MAP4K4 O95819 1/20 0.40
ATR Q13535 1/20 0.40
MAPK14 Q16539 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
SYK P43405 1/20 0.38
RORC P51449 1/20 0.38

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
SCHEMBL9951442 0.85 ATR (0.48) CYP17A1NAMPTPSMB8MAPKAPK2MAP4K4
SCHEMBL22110342 0.81 MAPKAPK2 (0.47) CYP17A1NAMPTPSMB8MAPKAPK2MAP4K4
SCHEMBL12517613 0.81 NAMPT (0.45) CYP17A1NAMPTPSMB8MAPKAPK2MAP4K4
SCHEMBL1548181 0.81 MAPKAPK2 (0.47) CYP17A1NAMPTPSMB8MAPKAPK2MAP4K4
SCHEMBL2012546 0.80 NAMPT (0.50) CYP17A1NAMPTPSMB8MAPKAPK2MAP4K4
SCHEMBL21885914 0.79 CYP17A1 (0.45) CYP17A1NAMPTPSMB8MAPKAPK2MAP4K4
SCHEMBL25547875 0.79 CYP17A1 (0.45) CYP17A1NAMPTPSMB8MAPKAPK2MAP4K4
SCHEMBL31363779 0.78 NAMPT (0.51) CYP17A1NAMPTPSMB8MAPKAPK2MAP4K4
SCHEMBL19180758 0.77 NAMPT (0.54) CYP17A1NAMPTPSMB8MAPKAPK2MAP4K4
SCHEMBL22498630 0.77 CYP17A1 (0.43) CYP17A1NAMPTPSMB8MAPKAPK2MAP4K4

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-20230165854-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY SHOUTI INC. 2023-06-01 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-20230165854-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY APLNR, AGTR1, AGTR2 CYP17A1 2554/4885NAMPT 3269/4885PSMB8 3432/4885

“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.