SCHEMBL6885122

SCHEMBL6885122

COC(=O)[C@H](CCC(=O)/C=C/C1CCCC1)NC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CTSK P43235 6/20 0.40
CTSS P25774 3/20 0.40
CACNA1B Q00975 6/20 0.40
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL1052504 0.89 CTSK (0.43) HDAC4HDAC1HDAC6CTSKCTSS
SCHEMBL1052503 0.89 CTSK (0.43) HDAC4HDAC1HDAC6CTSKCTSS
SCHEMBL1052501 0.89 CTSK (0.43) HDAC4HDAC1HDAC6CTSKCTSS
SCHEMBL20144682 0.81 NFKB1 (0.44) HDAC4HDAC1HDAC6CTSKCTSS
SCHEMBL28286745 0.78 ITGB3 (0.47) HDAC4HDAC1HDAC6CTSKCTSS
SCHEMBL28286746 0.78 ITGB3 (0.47) HDAC4HDAC1HDAC6CTSKCTSS
SCHEMBL25798355 0.77 SMN1; SMN2 (0.44) CTSKCTSSNFKB1NFKB2RELA
SCHEMBL20312918 0.77 CYP1A2 (0.42) CTSKCTSSNFKB1NFKB2RELA
SCHEMBL27444793 0.76 CTSK (0.54) HDAC4HDAC1HDAC6CTSKCTSS
SCHEMBL30044916 0.76 CACNA1B (0.55) HDAC4HDAC1HDAC6CTSKCTSS

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-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-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-8293705-B2 HCV protease inhibitors and uses thereof AVILA THERAPEUTICS, INC. (US) 2012-10-23 US disclosed
WO-2011002807-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-01-06 WO disclosed
WO-2011002808-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-01-06 WO 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 (6 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 HDAC4 1741/4885HDAC1 1888/4885HDAC6 297/4885
US-20130131105-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC HDAC4 1741/4885HDAC1 1888/4885HDAC6 297/4885
US-20170137463-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC HDAC4 1741/4885HDAC1 1888/4885HDAC6 297/4885
US-20160243249-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC HDAC4 1741/4885HDAC1 1888/4885HDAC6 297/4885
US-20150031106-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC HDAC4 1741/4885HDAC1 1888/4885HDAC6 297/4885
US-20100041591-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC HDAC4 1741/4885HDAC1 1888/4885HDAC6 297/4885

“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.