SCHEMBL3042785

SCHEMBL3042785

CC(C)(C)OC(=O)N1CCC(NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 5/20 0.60
HDAC4 P56524 2/20 0.48
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
PARP1 P09874 1/20 0.45
CYP2C19 P33261 1/20 0.45
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
HASPIN Q8TF76 1/20 0.44
EPHX1 P07099 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
CCR8 P51685 1/20 0.44
EPHX2 P34913 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL15739718 0.88 USP30 (0.66) USP30HDAC4KDM4EPKMPARP1
SCHEMBL3048226 0.85 NAMPT (0.50) USP30PARP1EPHX1EPHX2MEN1
SCHEMBL5315321 0.84 USP30 (0.54) USP30KDM4EALDH1A1EPHX2MAPT
SCHEMBL31495192 0.84 CYP2C19 (0.46) CYP2C19ALDH1A1TSHRMEN1KMT2A
SCHEMBL1232115 0.83 SMYD3 (0.50) KDM4EPKMCYP2C19MEN1KMT2A
SCHEMBL723951 0.83 CRBN (0.51) USP30HDAC4PARP1ALDH1A1EPHX2
SCHEMBL15639121 0.83 USP30 (0.53) USP30CYP2C19EPHX1ALDH1A1EPHX2
SCHEMBL12803108 0.82 USP30 (0.52) USP30KDM4EPKMEPHX1ALDH1A1
SCHEMBL20553260 0.81 HDAC4 (0.54) USP30HDAC4CCNCCDK8HASPIN
SCHEMBL3124262 0.81 USP30 (0.62) USP30HDAC4KDM4EPKMPARP1

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-8288536-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
US-20100216765-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
US-7713973-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 US disclosed
EP-1812439-A2 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2007-08-01 EP disclosed
WO-2006044687-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-04-27 WO disclosed
US-20060084650-A1 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-20 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 (2 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-20060084650-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 USP30 1898/4885HDAC4 1430/4885KDM4E 1350/4885
US-20100216765-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 USP30 1898/4885HDAC4 1430/4885KDM4E 1350/4885

“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.