SCHEMBL1052503

SCHEMBL1052503

CC(C)(C)OC(=O)NC(CCC(=O)C=CC1CCCC1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.43
CTSS P25774 5/20 0.43
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
PPARG P37231 5/20 0.38
PPARA Q07869 5/20 0.38
ACE P12821 1/20 0.38
CACNA1B Q00975 3/20 0.37
PPARD Q03181 2/20 0.37
ITGAV P06756 1/20 0.36
ITGB6 P18564 1/20 0.36
TSHR P16473 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36

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
SCHEMBL1052501 1.00 CTSK (0.43) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL1052504 1.00 CTSK (0.43) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL6885122 0.89 HDAC4 (0.41) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL25139692 0.80 CTSK (0.46) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL375737 0.80 CTSK (0.46) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL20835669 0.78 CTSK (0.49) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL20835667 0.78 CTSK (0.49) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL25363671 0.77 PPARA (0.44) CTSKCTSSPPARGPPARAACE
SCHEMBL25363674 0.77 PPARA (0.44) CTSKCTSSPPARGPPARAACE
SCHEMBL31407449 0.77 CTSK (0.56) CTSKCTSSHDAC4HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170137463-A1 HCV PROTEASE INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2017-05-18 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-20130017991-A1 HCV PROTEASE INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-01-17 US disclosed
US-8293705-B2 HCV protease inhibitors and uses thereof AVILA THERAPEUTICS, INC. (US) 2012-10-23 US disclosed
WO-2011002808-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-01-06 WO 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 (4 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-20170137463-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC CTSK 58/4885CTSS 40/4885HDAC4 1741/4885
US-20150031106-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC CTSK 58/4885CTSS 40/4885HDAC4 1741/4885
US-20100041591-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC CTSK 58/4885CTSS 40/4885HDAC4 1741/4885
US-20130017991-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC CTSK 58/4885CTSS 40/4885HDAC4 1741/4885

“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.