SCHEMBL9755814

SCHEMBL9755814

CC(C)(C)OC(=O)C(C)(C)C#N

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.44
CTSK P43235 9/20 0.36
CTSS P25774 5/20 0.33
CTSL P07711 2/20 0.31
CTSB P07858 2/20 0.31

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
SCHEMBL535914 0.77
SCHEMBL28444101 0.76 DGAT1 (0.41) DGAT1CTSKCTSSCTSLCTSB
SCHEMBL31047180 0.76 DGAT1 (0.41) DGAT1CTSKCTSS
SCHEMBL28447177 0.75
SCHEMBL15442896 0.75 DGAT1 (0.40) DGAT1CTSKCTSS
SCHEMBL14556812 0.73 DGAT1 (0.39) DGAT1CTSKCTSSCTSLCTSB
SCHEMBL8489394 0.73 DGAT1 (0.39) DGAT1CTSKCTSSCTSLCTSB
Water SCHEMBL27843038 0.73 DGAT1 (0.52) DGAT1CTSK
SCHEMBL6767255 0.72 CTSK (0.35) DGAT1CTSKCTSSCTSLCTSB
SCHEMBL535883 0.71 MEN1 (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116444493-A Derivative containing double parallel rings, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-07-18 CN disclosed
US-20170107207-A1 AMINOPYRAZOLONE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-04-20 US disclosed
US-20170107207-A1 AMINOPYRAZOLONE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-04-20 US disclosed
US-20170107207-A1 AMINOPYRAZOLONE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-04-20 US disclosed
EP-3109239-A1 AMINOPYRAZOLONE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-12-28 EP disclosed
EP-2834220-B1 4-HYDROXY-ISOQUINOLINE COMPOUNDS AS HIF HYDROXYLASE INHIBITORS FIBROGEN INC (US) 2016-11-09 EP disclosed
US-9409892-B2 4-hydroxy-isoquinoline compounds as HIF hydroxylase inhibitors FIBROGEN, INC. (US) 2016-08-09 US disclosed
WO-2015125786-A1 AMINOPYRAZOLONE DERIVATIVE 第一三共株式会社 2015-08-27 WO disclosed
EP-2834220-A1 4 -HYDROXY- ISOQUINOLINE COMPOUNDS AS HIF HYDROXYLASE INHIBITORS Fibrogen, Inc. (US) 2015-02-11 EP disclosed
US-20150038528-A1 4 -HYDROXY- ISOQUINOLINE COMPOUNDS AS HIF HYDROXYLASE INHIBITORS FIBROGEN, INC. 2015-02-05 US disclosed
WO-2013134660-A1 4 -HYDROXY- ISOQUINOLINE COMPOUNDS AS HIF HYDROXYLASE INHIBITORS FIBROGEN, INC. (US) 2013-09-12 WO disclosed
WO-1991005763-A1 DIPEPTIDE-ANALOG-BASED METALLOENDOPEPTIDASE INHIBITORS AND METHODS OF USING SAME THE SALK INSTITUTE BIOTECHNOLOGY/INDUSTRIAL ASSOCIATES, INC. (US) 1991-05-02 WO 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-20150038528-A1 4 -HYDROXY- ISOQUINOLINE COMPOUNDS AS HIF HYDROXYLASE INHIBITORS EGLN3, HIF1AN, EGLN2 DGAT1 3584/4885CTSK 4536/4885CTSS 4622/4885
US-20170107207-A1 AMINOPYRAZOLONE DERIVATIVE ATAD5, ATP1A1, TIPRL DGAT1 4787/4885CTSK 4289/4885CTSS 4286/4885

“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.