SCHEMBL888980

SCHEMBL888980

CC(C)(C)OC(=O)N1CCC(Nc2ncc(-c3ccc4cc(-c5c[nH]c([C@@H]6CCCN6C(=O)OC(C)(C)C)n5)ccc4c3)cn2)C1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 6/20 0.45
PIK3CD O00329 2/20 0.45
BTK Q06187 1/20 0.41
PIK3CA P42336 1/20 0.41
JAK1 P23458 1/20 0.40
MET P08581 1/20 0.39
HPGDS O60760 2/20 0.39
SYK P43405 1/20 0.39
IDH1 O75874 1/20 0.39
IGF1R P08069 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
SCN9A Q15858 1/20 0.37
GPR119 Q8TDV5 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
SCHEMBL889006 0.95 USP30 (0.48) USP30PIK3CDBTKPIK3CAJAK1
SCHEMBL888960 0.85 SYK (0.41) SYKHDAC4HDAC6
SCHEMBL888943 0.85 SYK (0.41) SYKHDAC4HDAC6
SCHEMBL14924575 0.83 ALDH1A1 (0.43) USP30
SCHEMBL12104032 0.83 ALDH1A1 (0.43) USP30
SCHEMBL888977 0.83 PRMT5 (0.43) GPR119
SCHEMBL14924576 0.83 ALDH1A1 (0.41) USP30GPR119
SCHEMBL16904938 0.83 ALDH1A1 (0.41) USP30GPR119
SCHEMBL889126 0.80 CYP3A4 (0.35) USP30
SCHEMBL888912 0.80 CYP3A4 (0.35) USP30

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
US-8759332-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-06-24 US 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 738/4885BTK 2382/4885

“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.