SCHEMBL10249437

SCHEMBL10249437

CC(C)(C)OC(=O)Nc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.68
MAPK14 Q16539 1/20 0.56
PPARG P37231 4/20 0.55
PPARA Q07869 3/20 0.55
GLS O94925 1/20 0.55
DRD2 P14416 1/20 0.53
NAMPT P43490 3/20 0.50
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA7 P43166 1/20 0.50
CA14 Q9ULX7 1/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
AKT1 P31749 2/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
SLC1A3 P43003 1/20 0.48
SLC1A2 P43004 1/20 0.48

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 0.94 CYP17A1 (0.76) CYP17A1MAPK14PPARGPPARAGLS
SCHEMBL7042995 0.91 DRD2 (0.59) CYP17A1PPARGPPARAGLSDRD2
SCHEMBL1854209 0.88 ATM (0.56) CYP17A1PPARGPPARAGLSDRD2
SCHEMBL14379115 0.88 CYP17A1 (0.68) CYP17A1MAPK14PPARGPPARADRD2
SCHEMBL31557899 0.87 CYP17A1 (0.57) CYP17A1MAPK14PPARGPPARAGLS
SCHEMBL31557895 0.87 CYP17A1 (0.57) CYP17A1MAPK14PPARGPPARAGLS
SCHEMBL134932 0.86 CYP17A1 (0.67) CYP17A1MAPK14PPARGPPARADRD2
SCHEMBL7722182 0.86 CYP17A1 (0.53) CYP17A1PPARGPPARAGLSNAMPT
SCHEMBL29260233 0.85 CYP17A1 (0.92) CYP17A1MAPK14NAMPTRAB9ASMN1; SMN2
SCHEMBL7043026 0.85 POLB (0.62) CYP17A1NPC1RAB9ASMN1; SMN2

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
CN-102482221-B bicyclic and tricyclic compounds as KATII inhibitors PFIZER INC. (US) 2014-10-22 CN disclosed
CN-102482221-A Bicyclic and tricyclic compounds as KATII inhibitors PFIZER 2012-05-30 CN disclosed
US-8183238-B2 Bicyclic and tricyclic compounds as KAT II inhibitors PFIZER INC. (US) 2012-05-22 US disclosed
US-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors PFIZER INC 2010-12-23 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-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors KAT2A, KAT2B, KAT6B CYP17A1 2058/4885MAPK14 1951/4885PPARG 2083/4885

“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.