SCHEMBL8095191

SCHEMBL8095191

Cc1cc(C(=O)C(C)C)c(C)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
GAA P10253 4/20 0.38
DBH P09172 1/20 0.38
RECQL P46063 1/20 0.38
FFAR1 O14842 1/20 0.36
NOTUM Q6P988 1/20 0.35
LMNA P02545 2/20 0.34
HSD17B10 Q99714 3/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HPGD P15428 1/20 0.33
POLB P06746 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
BRD4 O60885 1/20 0.33
GLA P06280 1/20 0.32
ATM Q13315 1/20 0.32
DAO P14920 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31

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
SCHEMBL21333130 0.84 NOTUM (0.33) KDM4EGAANOTUMLMNAHSD17B10
SCHEMBL593547 0.76 NOTUM (0.57) KDM4EGAANOTUMLMNAHSD17B10
SCHEMBL3678604 0.76 BRD4 (0.47) KDM4EGAANOTUMLMNAHSD17B10
SCHEMBL1981368 0.74 BRD4 (0.55) KDM4EGAANOTUMLMNAHSD17B10
SCHEMBL4848024 0.74 NOTUM (0.37) KDM4EGAANOTUMLMNAHSD17B10
SCHEMBL9475931 0.72 KDM4E (0.47) KDM4EGAALMNAHSD17B10MAPT
SCHEMBL31598891 0.72 TRPA1 (0.39) KDM4EGAARECQLNOTUMLMNA
SCHEMBL29310318 0.71 FFAR1 (0.48) KDM4EGAADBHRECQLFFAR1
SCHEMBL78402 0.71 MAPT (0.55) KDM4EGAALMNAHSD17B10MAPT
SCHEMBL18900601 0.71 GAA (0.38) KDM4EGAADBHRECQLFFAR1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809264-B2 Quinoxalinyl macrocyclic hepatitis C virus serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-08-19 US disclosed
US-8785377-B2 Tetrazolyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-07-22 US disclosed
US-8785377-B2 Tetrazolyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-07-22 US disclosed
US-8501681-B2 Macrocyclic hepatitis C virus serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2013-08-06 US disclosed
US-7662779-B2 Triazolyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2010-02-16 US disclosed
US-7662779-B2 Triazolyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2010-02-16 US disclosed
US-7635683-B2 Quinoxalinyl tripeptide hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2009-12-22 US disclosed
US-7635683-B2 Quinoxalinyl tripeptide hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2009-12-22 US disclosed
US-20090130059-A1 TETRAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-05-21 US disclosed
US-20090098085-A1 TETRAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-04-16 US disclosed
US-20090035271-A1 TETRAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-02-05 US disclosed
US-20090005387-A1 QUINOXALINYL MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-01-01 US disclosed
US-20080286233-A1 PIPERIZINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-11-20 US disclosed
US-20080038225-A1 TRIAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-02-14 US disclosed
US-20080038225-A1 TRIAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-02-14 US disclosed
US-20080032936-A1 Quinoxalinyl tripeptide hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2008-02-07 US disclosed
US-20080032936-A1 Quinoxalinyl tripeptide hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2008-02-07 US disclosed
US-20080008681-A1 MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-01-10 US disclosed
US-20080008681-A1 MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-01-10 US disclosed
US-20070299078-A1 Quinoxalinyl Macrocyclic Hepatitis C Virus Serine Protease Inhibitors ENANTA PHARMACEUTICALS, INC. 2007-12-27 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 (9 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-20090035271-A1 TETRAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS4, PRSS1, SPINT2 KDM4E 1279/4885GAA 751/4885DBH 4303/4885
US-20080038225-A1 TRIAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, SPINT2, CTSC KDM4E 1726/4885GAA 564/4885DBH 3471/4885
US-20080008681-A1 MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS PRSS1, SPINT2, TMPRSS4 KDM4E 1405/4885GAA 637/4885DBH 2932/4885
US-20090005387-A1 QUINOXALINYL MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS PRSS1, SPINT2, CTSC KDM4E 691/4885GAA 411/4885DBH 3194/4885
US-20070299078-A1 Quinoxalinyl Macrocyclic Hepatitis C Virus Serine Protease Inhibitors PRSS1, SPINT2, CTSC KDM4E 691/4885GAA 411/4885DBH 3194/4885
US-20080032936-A1 Quinoxalinyl tripeptide hepatitis C virus inhibitors VIP, CTSC, PREP KDM4E 970/4885GAA 500/4885DBH 3135/4885
US-20090098085-A1 TETRAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS4, PRSS1, SPINT2 KDM4E 1360/4885GAA 675/4885DBH 4245/4885
US-20080286233-A1 PIPERIZINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, HPN, PREP KDM4E 1023/4885GAA 1148/4885DBH 3948/4885
US-20090130059-A1 TETRAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS4, PRSS1, SPINT2 KDM4E 1279/4885GAA 751/4885DBH 4303/4885

“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.