SCHEMBL889000

SCHEMBL889000

CCC(CNc1ncc(-c2ccc3cc(-c4c[nH]c([C@@H]5CCCN5C(=O)OC(C)(C)C)n4)ccc3c2)cn1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 4/20 0.34
UCHL1 P09936 3/20 0.34
GSK3B P49841 3/20 0.34
DYRK1A Q13627 3/20 0.34
WNT1 P04628 2/20 0.34
GPR119 Q8TDV5 2/20 0.33
PRMT5 O14744 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CHEK2 O96017 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL888912 0.86 CYP3A4 (0.35) USP30UCHL1GSK3BDYRK1AWNT1
SCHEMBL889126 0.86 CYP3A4 (0.35) USP30UCHL1GSK3BDYRK1AWNT1
SCHEMBL888977 0.83 PRMT5 (0.43) GSK3BDYRK1AWNT1GPR119PRMT5
SCHEMBL889005 0.81 CYP3A4 (0.49)
SCHEMBL14924575 0.79 ALDH1A1 (0.43) USP30UCHL1ALDH1A1CHEK2KDM4E
SCHEMBL12104032 0.79 ALDH1A1 (0.43) USP30UCHL1ALDH1A1CHEK2KDM4E
SCHEMBL888980 0.79 USP30 (0.45) USP30GPR119
SCHEMBL14924576 0.79 ALDH1A1 (0.41) USP30UCHL1GPR119ALDH1A1CHEK2
SCHEMBL16904938 0.79 ALDH1A1 (0.41) USP30UCHL1GPR119ALDH1A1CHEK2
SCHEMBL889122 0.78 PRMT5 (0.48) GSK3BDYRK1AWNT1GPR119PRMT5

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 2645/4885UCHL1 2715/4885GSK3B 306/4885

“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.