SCHEMBL889083

SCHEMBL889083

CC(C)(C)OC(=O)N1CCC(Nc2ncc(Br)s2)C1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 7/20 0.50
PIK3CD O00329 2/20 0.46
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
BTK Q06187 1/20 0.45
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
FPR3 P25089 2/20 0.42
FPR2 P25090 2/20 0.42
JAK1 P23458 1/20 0.42
ADORA1 P30542 1/20 0.42
EPHX1 P07099 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
SCHEMBL17631691 0.83 PTPN2 (0.51) USP30NPC1RAB9AIDO1TDO2
SCHEMBL28551817 0.81 CCNK (0.53) USP30PIK3CDBTKALDH1A1NPC1
SCHEMBL889080 0.81 CCNK (0.53) USP30PIK3CDBTKALDH1A1NPC1
SCHEMBL23292461 0.81 CCNK (0.53) USP30PIK3CDBTKALDH1A1NPC1
SCHEMBL13326821 0.80 CNR1 (0.49) USP30PIK3CDCCNA2CDK2BTK
SCHEMBL972900 0.80 CNR1 (0.49) USP30PIK3CDCCNA2CDK2BTK
SCHEMBL25851878 0.79 USP30 (0.51) USP30PIK3CDBTKALDH1A1NPC1
SCHEMBL28506214 0.79 USP30 (0.53) USP30PIK3CDBTKALDH1A1NPC1
SCHEMBL24179474 0.79 USP30 (0.51) USP30PIK3CDBTKALDH1A1NPC1
SCHEMBL888993 0.79 USP30 (0.53) USP30PIK3CDBTKALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011031934-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-03-17 WO disclosed
US-20110064697-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 US disclosed
US-20110064697-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 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-20110064697-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 USP30 2645/4885PIK3CD 738/4885CCNA2 683/4885

“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.