SCHEMBL3306182

SCHEMBL3306182

CC(C)(C)OC(=O)Nc1ccc(-c2ccc3scnc3c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.56
CYP17A1 P05093 4/20 0.50
PSMB8 P28062 1/20 0.48
AURKA O14965 1/20 0.47
SREBF2 Q12772 1/20 0.45
HSD11B1 P28845 1/20 0.44
FFAR1 O14842 1/20 0.44
DYRK2 Q92630 3/20 0.44
RIPK2 O43353 2/20 0.43
KDR P35968 2/20 0.43
TGFBR1 P36897 2/20 0.43
LCK P06239 1/20 0.43
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
EGFR P00533 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL18180168 0.90 HSD11B1 (0.54) MAP4K4CYP17A1PSMB8AURKAHSD11B1
SCHEMBL3301424 0.90 CYP17A1 (0.53) MAP4K4CYP17A1AURKAHSD11B1RIPK2
SCHEMBL3311143 0.88 DYRK2 (0.45) MAP4K4CYP17A1PSMB8AURKASREBF2
SCHEMBL13394556 0.84 CYP17A1 (0.54) MAP4K4CYP17A1FFAR1DYRK2RIPK2
SCHEMBL25382759 0.82 NPC1 (0.51) MAP4K4MEN1NPC1RAB9AKMT2A
SCHEMBL30554088 0.82 NPC1 (0.51) MAP4K4MEN1NPC1RAB9AKMT2A
SCHEMBL1846865 0.80 RIPK2 (0.54) AURKAHSD11B1FFAR1RIPK2KDR
SCHEMBL1848638 0.80 TRPV1 (0.52) MAP4K4CYP17A1PSMB8SREBF2MEN1
SCHEMBL20865536 0.78 CYP17A1 (0.68) MAP4K4CYP17A1PSMB8HDAC3HDAC1
SCHEMBL12788367 0.74 CYP17A1 (0.57) MAP4K4CYP17A1PSMB8SREBF2HDAC3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420052-B2 Imaging agents useful for identifying AD pathology SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2013-04-16 US disclosed
US-8420052-B2 Imaging agents useful for identifying AD pathology SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2013-04-16 US disclosed
US-8420052-B2 Imaging agents useful for identifying AD pathology SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2013-04-16 US disclosed
US-20100098634-A1 Imaging Agents Useful for Identifying AD Pathology SIEMENS MEDICAL SOLUTIONS USA, INC. 2010-04-22 US disclosed
US-20100098634-A1 Imaging Agents Useful for Identifying AD Pathology SIEMENS MEDICAL SOLUTIONS USA, INC. 2010-04-22 US disclosed
US-20100098634-A1 Imaging Agents Useful for Identifying AD Pathology SIEMENS MEDICAL SOLUTIONS USA, INC. 2010-04-22 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-20100098634-A1 Imaging Agents Useful for Identifying AD Pathology APP, APBA1, PYGB MAP4K4 4649/4885CYP17A1 2101/4885PSMB8 4378/4885

“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.