SCHEMBL15424554

SCHEMBL15424554

C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NS(=O)(=O)C1(C)CC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
CA12 O43570 3/20 0.31
CA14 Q9ULX7 3/20 0.31
CA1 P00915 1/20 0.31
CA7 P43166 1/20 0.31
CA2 P00918 1/20 0.31
RORC P51449 1/20 0.30

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
SCHEMBL21129249 0.88 MEN1 (0.35) MEN1MAPK1KMT2ACA12CA14
SCHEMBL13336969 0.85 MEN1 (0.32) MEN1MAPK1KMT2ACA12CA14
SCHEMBL1537576 0.84 CYP3A4 (0.33) MEN1MAPK1KMT2A
SCHEMBL19558520 0.84 MEN1 (0.32) MEN1MAPK1KMT2ACA12CA14
SCHEMBL1537637 0.84 CYP3A4 (0.33) MEN1MAPK1KMT2A
SCHEMBL1926315 0.84 CYP3A4 (0.33) MEN1MAPK1KMT2A
SCHEMBL16080059 0.84 MEN1 (0.32) MEN1MAPK1KMT2ACA12CA14
SCHEMBL10283647 0.84 CYP3A4 (0.33) MEN1MAPK1KMT2A
SCHEMBL20751960 0.83 MEN1 (0.33) MEN1MAPK1KMT2ACA12CA14
SCHEMBL15681348 0.83 MEN1 (0.32) MEN1MAPK1KMT2ACA12CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3825312-A1 INTERMEDIATES FOR PREPARING INHIBITORS OF HEPATITIS C VIRUS Gilead Pharmasset LLC (US) 2021-05-26 EP disclosed
EP-3492464-A1 INTERMEDIATES FOR PREPARING INHIBITORS OF HEPATITIS C VIRUS Gilead Sciences, Inc. (US) 2019-06-05 EP disclosed
US-20170290827-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2017-10-12 US disclosed
US-9655944-B2 Inhibitors of hepatitis C virus GILEAD SCIENCES, INC. (US) 2017-05-23 US disclosed
EP-3159345-A1 INHIBITORS OF HEPATITIS C VIRUS Gilead Sciences, Inc. (US) 2017-04-26 EP disclosed
US-20160361375-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2016-12-15 US disclosed
EP-2870160-B1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES INC (US) 2016-09-28 EP disclosed
US-9409943-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-09 US disclosed
US-9296782-B2 Inhibitors of hepatitis C virus GILEAD SCIENCES, INC. (US) 2016-03-29 US disclosed
US-20150239930-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-08-27 US disclosed
US-20150175655-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2015-06-25 US disclosed
US-20140017198-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2014-01-16 US disclosed
WO-2014008285-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. (US) 2014-01-09 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 (5 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-20150239930-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, GOT1 MEN1 4761/4885MAPK1 3151/4885KMT2A 4612/4885
US-20150175655-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 MEN1 3724/4885MAPK1 3693/4885KMT2A 4659/4885
US-20170290827-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 MEN1 3419/4885MAPK1 3681/4885KMT2A 4606/4885
US-20160361375-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 MEN1 3419/4885MAPK1 3681/4885KMT2A 4606/4885
US-20140017198-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 MEN1 3419/4885MAPK1 3681/4885KMT2A 4606/4885

“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.