SCHEMBL8401938

SCHEMBL8401938

CCC(=O)OC1(C(=O)OC)CC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.35
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
TSHR P16473 3/20 0.32
OPRM1 P35372 4/20 0.32
OPRD1 P41143 3/20 0.32
OPRK1 P41145 3/20 0.32
LMNA P02545 2/20 0.32
MGAM O43451 2/20 0.30
GAA P10253 2/20 0.30
SI P14410 2/20 0.30
MGAM2 Q2M2H8 2/20 0.30
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL8205181 0.76 ALDH1A1 (0.41) NPSR1CYP4F2CYP4A11LMNAALDH1A1
SCHEMBL27894708 0.72 NPSR1 (0.41) NPSR1CYP4F2CYP4A11LMNA
SCHEMBL1469083 0.72
SCHEMBL22853899 0.71 OPRM1 (0.32) OPRM1OPRD1OPRK1
SCHEMBL8039226 0.71 SMN1; SMN2 (0.35) NPSR1CYP4F2CYP4A11LMNA
SCHEMBL27009188 0.71 TSHR (0.37) NPSR1CYP4F2CYP4A11TSHRLMNA
SCHEMBL12987269 0.71 NPSR1 (0.32) NPSR1CYP4F2CYP4A11
SCHEMBL15125183 0.70 NPSR1 (0.38) NPSR1CYP4F2CYP4A11OPRM1OPRD1
SCHEMBL3382508 0.69 CYP2C19 (0.36) TSHROPRM1OPRD1OPRK1LMNA
SCHEMBL11139439 0.69 CYP19A1 (0.32) OPRM1OPRD1OPRK1LMNA

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 12 patents. 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-7662779-B2 Triazolyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2010-02-16 US disclosed
US-20090123423-A1 HYDROXYAMIC ANALOGS AS HEPATITIS C VIRUS SERINE PROTEASE INHIBITOR ENANTA PHARMACEUTICALS, INC. 2009-05-14 US disclosed
US-20090098085-A1 TETRAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-04-16 US disclosed
US-20090047248-A1 TRIAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-02-19 US disclosed
US-20080317712-A1 ARYLPIPERIDINYL AND ARYLPYRROLIDINYL TRIPEPTIDE HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-12-25 US disclosed
US-20080286233-A1 PIPERIZINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-11-20 US disclosed
US-20080274082-A1 OXIMYL HYDROXYAMIC ANALOGS AS HEPATITIS C VIRUS PROTEASE INHIBITOR ENANTA PHARMACEUTICALS, INC. 2008-11-06 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-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-20080274082-A1 OXIMYL HYDROXYAMIC ANALOGS AS HEPATITIS C VIRUS PROTEASE INHIBITOR HPN, HCCS, SPINT2 NPSR1 2289/4885CYP4F2 425/4885CYP4A11 35/4885
US-20080038225-A1 TRIAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, SPINT2, CTSC NPSR1 1912/4885CYP4F2 408/4885CYP4A11 69/4885
US-20090047248-A1 TRIAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS SPINT2, PRSS1, CTSC NPSR1 2353/4885CYP4F2 384/4885CYP4A11 74/4885
US-20070299078-A1 Quinoxalinyl Macrocyclic Hepatitis C Virus Serine Protease Inhibitors PRSS1, SPINT2, CTSC NPSR1 2637/4885CYP4F2 410/4885CYP4A11 61/4885
US-20090123423-A1 HYDROXYAMIC ANALOGS AS HEPATITIS C VIRUS SERINE PROTEASE INHIBITOR HPN, PRSS1, SERPINB1 NPSR1 1984/4885CYP4F2 564/4885CYP4A11 142/4885
US-20080317712-A1 ARYLPIPERIDINYL AND ARYLPYRROLIDINYL TRIPEPTIDE HEPATITIS C SERINE PROTEASE INHIBITORS PREP, DNPEP, CTSC NPSR1 990/4885CYP4F2 505/4885CYP4A11 79/4885
US-20080032936-A1 Quinoxalinyl tripeptide hepatitis C virus inhibitors VIP, CTSC, PREP NPSR1 1436/4885CYP4F2 365/4885CYP4A11 50/4885
US-20090098085-A1 TETRAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS4, PRSS1, SPINT2 NPSR1 1600/4885CYP4F2 315/4885CYP4A11 77/4885
US-20080286233-A1 PIPERIZINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, HPN, PREP NPSR1 1377/4885CYP4F2 1095/4885CYP4A11 64/4885

“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.