SCHEMBL9924136

SCHEMBL9924136

CC(C)(C)OC(=O)NC1(C(C)(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 1/20 0.40
CTSL P07711 1/20 0.36
APLNR P35414 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
DGAT1 O75907 1/20 0.34
CA1 P00915 2/20 0.34
CA7 P43166 2/20 0.34
CA2 P00918 1/20 0.34
GAA P10253 4/20 0.34
BTK Q06187 1/20 0.34
CTSK P43235 1/20 0.33
EPHX1 P07099 1/20 0.33
CA12 O43570 1/20 0.33
CA14 Q9ULX7 1/20 0.33

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
SCHEMBL26017866 0.90 GAA (0.37) MEN1KMT2AMAPK1CTSLAPLNR
SCHEMBL1789654 0.84 MEN1 (0.38) MEN1KMT2AMAPK1CTSLAPLNR
SCHEMBL29985411 0.84 MEN1 (0.38) MEN1KMT2AMAPK1CTSLAPLNR
SCHEMBL14738616 0.79 MEN1 (0.37) MEN1KMT2AMAPK1CTSLAPLNR
SCHEMBL1352521 0.79 MEN1 (0.37) MEN1KMT2AMAPK1CTSLAPLNR
SCHEMBL1516443 0.77 MEN1 (0.36) MEN1KMT2AMAPK1CTSLAPLNR
SCHEMBL29482981 0.77 MEN1 (0.41) MEN1KMT2AMAPK1CTSLAPLNR
SCHEMBL2087734 0.77 RORC (0.43) MEN1KMT2AMAPK1CTSLAPLNR
SCHEMBL23750033 0.76 MEN1 (0.36) MEN1KMT2AMAPK1CTSLAPLNR
SCHEMBL8007325 0.75 MEN1 (0.40) MEN1KMT2AMAPK1CTSLAPLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9260414-B2 Inhibitors of hepatitic C virus THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-02-16 US disclosed
US-20150071878-A1 NOVEL INHIBITORS OF HEPATITIC C VIRUS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-03-12 US disclosed
US-8440672-B2 Diphenyl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2013-05-14 US disclosed
US-8426413-B2 Diaryl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2013-04-23 US disclosed
US-20120149674-A1 Diaryl Substituted Alkanes MERCK SHARPE & DOHME CORP. (US) 2012-06-14 US disclosed
US-8124628-B2 Diaryl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2012-02-28 US disclosed
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 US disclosed
US-20100168076-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-01 US disclosed
US-20090258851-A1 DIARYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2009-10-15 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 (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-20100168076-A1 DIPHENYL SUBSTITUTED ALKANES ALOX5, ALOX15, ALOX15B MEN1 4764/4885KMT2A 4331/4885MAPK1 1844/4885
US-20150071878-A1 NOVEL INHIBITORS OF HEPATITIC C VIRUS HAVCR2, SLC10A1, HDGF MEN1 3635/4885KMT2A 4426/4885MAPK1 174/4885
US-20120149674-A1 Diaryl Substituted Alkanes ALOX5, ALOX15, LTB4R2 MEN1 4670/4885KMT2A 3411/4885MAPK1 2246/4885
US-20090258851-A1 DIARYL SUBSTITUTED ALKANES ALOX5, ALOX15, LTB4R2 MEN1 4670/4885KMT2A 3411/4885MAPK1 2246/4885
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES ALOX5, ALOX15, ALOX15B MEN1 4664/4885KMT2A 4281/4885MAPK1 1457/4885

“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.