SCHEMBL13433290

SCHEMBL13433290

COC(=O)/C=C/CCC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.48
NFE2L2 Q16236 2/20 0.48
KEAP1 Q14145 1/20 0.48
TTR P02766 1/20 0.37
APP P05067 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
TYR P14679 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
MAPT P10636 1/20 0.35
PTPN1 P18031 1/20 0.35
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
GFPT1 Q06210 1/20 0.33
FDPS P14324 1/20 0.32
ALDH1A1 P00352 2/20 0.32
ALOX15 P16050 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
SCHEMBL14349835 0.82 HCAR2 (0.46) HCAR2NFE2L2KEAP1TTRAPP
SCHEMBL21689936 0.80 MAPT (0.41) HCAR2MAPTALDH1A1
SCHEMBL12710484 0.80 MAPT (0.58) HCAR2TTRCA12CA1CA2
SCHEMBL9740844 0.78 NFE2L2 (0.52) HCAR2NFE2L2KEAP1TTRAPP
SCHEMBL14488332 0.78 NFE2L2 (0.52) HCAR2NFE2L2KEAP1TTRAPP
SCHEMBL9740851 0.78 NFE2L2 (0.52) HCAR2NFE2L2KEAP1TTRAPP
SCHEMBL29626505 0.78 HCAR2 (0.57) HCAR2NFE2L2KEAP1TTRAPP
SCHEMBL27480714 0.76 HCAR2 (0.44) HCAR2NFE2L2KEAP1TTRAPP
SCHEMBL30880355 0.76 HCAR2 (0.44) HCAR2NFE2L2KEAP1TTRAPP
SCHEMBL13408037 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9694086-B2 HCV protease inhibitors and uses thereof CELGENE CAR LLC (BM) 2017-07-04 US disclosed
US-20170137463-A1 HCV PROTEASE INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2017-05-18 US disclosed
US-20170137463-A1 HCV PROTEASE INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2017-05-18 US disclosed
US-20160243249-A1 HCV PROTEASE INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2016-08-25 US disclosed
US-20150031106-A1 HCV PROTEASE INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2015-01-29 US disclosed
US-8741837-B2 HCV protease inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2014-06-03 US disclosed
US-20130131105-A1 HCV PROTEASE INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-05-23 US disclosed
US-20130017991-A1 HCV PROTEASE INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-01-17 US disclosed
US-20130017991-A1 HCV PROTEASE INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-01-17 US disclosed
US-8309685-B2 HCV protease inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2012-11-13 US disclosed
US-8309685-B2 HCV protease inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2012-11-13 US disclosed
US-8293705-B2 HCV protease inhibitors and uses thereof AVILA THERAPEUTICS, INC. (US) 2012-10-23 US disclosed
US-20100069294-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-03-18 US disclosed
US-20100069294-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-03-18 US disclosed
US-20100041591-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-02-18 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 (7 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-20100069294-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC HCAR2 4519/4885NFE2L2 4458/4885KEAP1 806/4885
US-20130131105-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC HCAR2 4519/4885NFE2L2 4458/4885KEAP1 806/4885
US-20170137463-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC HCAR2 4519/4885NFE2L2 4458/4885KEAP1 806/4885
US-20160243249-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC HCAR2 4519/4885NFE2L2 4458/4885KEAP1 806/4885
US-20150031106-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC HCAR2 4519/4885NFE2L2 4458/4885KEAP1 806/4885
US-20100041591-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC HCAR2 4519/4885NFE2L2 4458/4885KEAP1 806/4885
US-20130017991-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC HCAR2 4519/4885NFE2L2 4458/4885KEAP1 806/4885

“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.