SCHEMBL7916539

SCHEMBL7916539

CC(C)NS(=O)(=O)c1cc2ccccc2s1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.56
CCR2 P41597 1/20 0.48
MMP13 P45452 1/20 0.46
HDAC1 Q13547 1/20 0.45
GHSR Q92847 1/20 0.44
TPSAB1 Q15661 1/20 0.43
AKR1B1 P15121 1/20 0.43
KIT P10721 1/20 0.41
F10 P00742 1/20 0.41
MCL1 Q07820 1/20 0.40
SLC9A1 P19634 1/20 0.40
ADRB2 P07550 1/20 0.39
CYP2A6 P11509 1/20 0.39

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
SCHEMBL1575937 0.81 CA2 (0.61) CA2CCR2MMP13HDAC1GHSR
SCHEMBL16597959 0.78 CA2 (0.61) CA2CCR2MMP13HDAC1GHSR
SCHEMBL13595014 0.77 CA2 (0.56) CA2CCR2MMP13HDAC1GHSR
SCHEMBL4188720 0.77 CCR2 (0.64) CA2CCR2HDAC1GHSRTPSAB1
SCHEMBL2409438 0.76 HDAC1 (0.46) CA2MMP13HDAC1SLC9A1
SCHEMBL12157405 0.75 CA2 (0.67) CA2CCR2HDAC1GHSRAKR1B1
SCHEMBL16756206 0.75 HDAC1 (0.62) CA2CCR2HDAC1GHSRTPSAB1
SCHEMBL329294 0.75 CA2 (0.71) CA2CCR2HDAC1TPSAB1AKR1B1
SCHEMBL17471080 0.75 CA2 (0.46) CA2
SCHEMBL10143420 0.74 CCR2 (0.57) CA2CCR2HDAC1GHSRTPSAB1

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 37 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-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-7910587-B2 Quinoxalinyl dipeptide hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2011-03-22 US disclosed
US-7910587-B2 Quinoxalinyl dipeptide hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2011-03-22 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-20080279821-A1 ARYLPIPERIDINYL AND ARYLPYRROLIDINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-11-13 US disclosed
US-20080267918-A1 QUINOXALINYL DIPEPTIDE HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-10-30 US disclosed
US-20080267918-A1 QUINOXALINYL DIPEPTIDE HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-10-30 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-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
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 (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-20080279821-A1 ARYLPIPERIDINYL AND ARYLPYRROLIDINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, CTSC, SPINT2 CA2 3114/4885CCR2 834/4885MMP13 928/4885
US-20080038225-A1 TRIAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, SPINT2, CTSC CA2 2552/4885CCR2 1699/4885MMP13 873/4885
US-20080008681-A1 MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS PRSS1, SPINT2, TMPRSS4 CA2 2317/4885CCR2 1098/4885MMP13 689/4885
US-20070299078-A1 Quinoxalinyl Macrocyclic Hepatitis C Virus Serine Protease Inhibitors PRSS1, SPINT2, CTSC CA2 2072/4885CCR2 1543/4885MMP13 906/4885
US-20080267918-A1 QUINOXALINYL DIPEPTIDE HEPATITIS C VIRUS INHIBITORS DPP4, CTSC, PEPD CA2 1640/4885CCR2 1744/4885MMP13 1158/4885
US-20080032936-A1 Quinoxalinyl tripeptide hepatitis C virus inhibitors VIP, CTSC, PREP CA2 1722/4885CCR2 1946/4885MMP13 1003/4885

“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.