SCHEMBL16248391

SCHEMBL16248391

CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc3c(n2)C2=C(C3)C(=O)C(C)(C)CC2(C)C)C1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 11/20 0.51
HDAC4 P56524 3/20 0.43
HDAC6 Q9UBN7 2/20 0.43
PARP1 P09874 3/20 0.43
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
FPR3 P25089 1/20 0.38
FPR2 P25090 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37

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
SCHEMBL14730737 0.76 PARP1 (0.53) USP30HDAC4HDAC6PARP1CCNA2
SCHEMBL16248394 0.76 USP30 (0.47) USP30HDAC4HDAC6PARP1FPR3
SCHEMBL20029199 0.71 USP30 (0.60) USP30HDAC4HDAC6PARP1
SCHEMBL20029112 0.71 USP30 (0.60) USP30HDAC4HDAC6PARP1
SCHEMBL889095 0.71 USP30 (0.55) USP30HDAC4HDAC6PARP1CCNA2
SCHEMBL889037 0.71 USP30 (0.69) USP30HDAC4HDAC6PARP1
SCHEMBL18124157 0.69 USP30 (0.69) USP30HDAC4HDAC6PARP1FPR3
SCHEMBL23585212 0.67 USP30 (1.00) USP30HDAC4HDAC6PARP1FPR3
SCHEMBL18124163 0.67 USP30 (1.00) USP30HDAC4HDAC6PARP1FPR3
SCHEMBL29779129 0.67 USP30 (1.00) USP30HDAC4HDAC6PARP1FPR3

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-9340539-B2 Hepatitis C inhibitor compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-17 US disclosed
US-9340539-B2 Hepatitis C inhibitor compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-17 US disclosed
US-20140343077-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-20 US disclosed
US-20140343077-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-20 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-20140343077-A1 HEPATITIS C INHIBITOR COMPOUNDS HCCS, C1R, HAVCR2 USP30 1713/4885HDAC4 2738/4885HDAC6 1799/4885

“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.