SCHEMBL457576

SCHEMBL457576

O=C(O)c1csc(CO)n1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.54
MMP13 P45452 3/20 0.54
MMP1 P03956 2/20 0.54
MMP9 P14780 2/20 0.54
KDM4E B2RXH2 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
PLA2G4A P47712 1/20 0.42
ACHE P22303 1/20 0.39
HPGDS O60760 1/20 0.39
PTGER1 P34995 1/20 0.38

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
SCHEMBL2839000 0.83 MMP1 (0.54) MMP2MMP13MMP1MMP9KDM4E
SCHEMBL1244889 0.82 MMP1 (0.53) MMP2MMP13MMP1MMP9KDM4E
SCHEMBL3597949 0.82 MMP1 (0.53) MMP2MMP13MMP1MMP9KDM4E
SCHEMBL13614850 0.82 MMP1 (0.53) MMP2MMP13MMP1MMP9KDM4E
SCHEMBL2497828 0.82 MMP1 (0.53) MMP2MMP13MMP1MMP9KDM4E
SCHEMBL27880690 0.82 CYP2C19 (0.51) MMP2MMP13MMP1MMP9L3MBTL1
SCHEMBL743961 0.82 MMP13 (0.57) MMP2MMP13MMP1MMP9KDM4E
SCHEMBL10277057 0.81 MMP1 (0.49) MMP2MMP13MMP1MMP9KDM4E
Hydrochloric Acid SCHEMBL23120712 0.80 MMP1 (0.51) MMP2MMP13MMP1MMP9KDM4E
SCHEMBL2142883 0.79 MMP1 (0.50) MMP2MMP13MMP1MMP9KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4537315-B2 2010-09-01 JP claimed
US-7666863-B2 Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis C viral infections and associated diseases VIROPHARMA INCORPORATED (US) 2010-02-23 US claimed
US-20070231318-A1 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES SAHA ASHIS K 2007-10-04 US claimed
EP-1581207-A4 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA INC (US) 2007-07-25 EP claimed
EP-1746888-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES Viropharma Incorporated (US) 2007-01-31 EP claimed
JP-2006510736-A 2006-03-30 JP claimed
WO-2005112640-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA INCORPORATED (US) 2005-12-01 WO claimed
EP-1581207-A2 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES Viropharma Incorporated (US) 2005-10-05 EP claimed
US-20040162318-A1 Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis C viral infections and associated diseases VIROPHARMA INCORPORATED 2004-08-19 US claimed
WO-2004041201-A2 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA INCORPORATED (US) 2004-05-21 WO claimed
EP-2778156-B1 Phenoxypyridinylamide derivatives and their use in the treatment of PDE4 mediated disease states ASTRAZENECA AB (SE) 2016-11-30 EP disclosed
US-9326987-B2 Indazole derivatives for use in the treatment of influenza virus infection GLAXO GROUP LIMITED (GB) 2016-05-03 US disclosed
US-9326987-B2 Indazole derivatives for use in the treatment of influenza virus infection GLAXO GROUP LIMITED (GB) 2016-05-03 US disclosed
US-9326987-B2 Indazole derivatives for use in the treatment of influenza virus infection GLAXO GROUP LIMITED (GB) 2016-05-03 US disclosed
EP-2280946-B1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES GLAXO GROUP LTD (GB) 2016-02-10 EP disclosed
WO-2002080928-A1 N-SUBSTITUTED NONARYL-HETEROCYCLO AMIDYL NMDA/NR2B ANTAGONISTS MERCK & CO., INC. (US) 2002-10-17 WO disclosed
CN-1278820-A Pyrrolopyrrolone derivatives as inhibitors of neutrophil elastase GLAXO GROUP LTD (GB) 2001-01-03 CN disclosed
EP-1003748-A2 PYRROLOPYRROLONE DERIVATIVES AS INHIBITORS OF NEUTROPHIL ELASTASE GLAXO GROUP LIMITED (GB) 2000-05-31 EP disclosed
WO-1999012933-A2 PYRROLOPYRROLONE DERIVATIVES AS INHIBITORS OF NEUTROPHIL ELASTASE GLAXO GROUP LIMITED (GB) 1999-03-18 WO disclosed
CN-1042910-A The allylamine derivatives that replaces, their production method and application thereof BANYU PHARMA CO LTD (JP) 1990-06-13 CN 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 (2 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-20070231318-A1 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES BBOX1, HAVCR2, CYP2E1 MMP2 3453/4885MMP13 2910/4885MMP1 4219/4885
US-20040162318-A1 Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis C viral infections and associated diseases BBOX1, HAVCR2, CYP2E1 MMP2 3453/4885MMP13 2910/4885MMP1 4219/4885

“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.