SCHEMBL1891489

SCHEMBL1891489

N#Cc1cccc(S(=O)(=O)N2CCN(c3ccc4oc(C(=O)O)cc4c3Cl)CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.58
GBA1 P04062 1/20 0.42
HPGD P15428 1/20 0.42
OPRK1 P41145 1/20 0.41
SCN9A Q15858 2/20 0.41
GPR6 P46095 1/20 0.41
AKR1C3 P42330 2/20 0.40
AKR1C1 Q04828 1/20 0.40
CYP17A1 P05093 1/20 0.40
CYP21A2 P08686 1/20 0.40
CYP11B1 P15538 1/20 0.40
TNF P01375 1/20 0.39
NOD2 Q9HC29 1/20 0.39
NOD1 Q9Y239 1/20 0.39
KMT2A Q03164 1/20 0.39
PTPN11 Q06124 3/20 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
SCHEMBL29881677 1.00 NR1H4 (0.58) NR1H4GBA1HPGDOPRK1SCN9A
SCHEMBL1893464 0.90 NR1H4 (0.54) NR1H4GBA1HPGDOPRK1SCN9A
SCHEMBL29881234 0.90 NR1H4 (0.54) NR1H4GBA1HPGDOPRK1SCN9A
SCHEMBL29881881 0.88 NR1H4 (0.62) NR1H4GBA1HPGDKMT2APTPN11
SCHEMBL1890598 0.88 NR1H4 (0.62) NR1H4GBA1HPGDKMT2APTPN11
SCHEMBL16354055 0.88 NR1H4 (0.43) NR1H4GBA1HPGDOPRK1SCN9A
SCHEMBL29880751 0.86 NR1H4 (0.63) NR1H4HPGDKMT2APTPN11
SCHEMBL1889050 0.86 NR1H4 (0.63) NR1H4HPGDKMT2APTPN11
SCHEMBL29880561 0.84 NR1H4 (0.60) NR1H4HPGDKMT2APTPN11
SCHEMBL1885524 0.84 NR1H4 (0.60) NR1H4HPGDKMT2APTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2262785-B1 BENZOFURANE DERIVATIVES AS FXR MODULATORS MERCK PATENT GMBH (DE) 2015-01-14 EP claimed
US-8575161-B2 Benzofurane, benzothiophene, benzothiazol derivatives as FXR modulators MERCK PATENT GMBH (DE) 2013-11-05 US claimed
US-20110105475-A1 BENZOFURANE, BENZOTHIOPHENE, BENZOTHIAZOL DERIVATIVES AS FXR MODULATORS MERXCK PATENT GESELLSCHAFT (DE) 2011-05-05 US claimed
EP-2262785-A1 BENZOFURANE, BENZOTHIOPHENE, BENZOTHIAZOL DERIVATIVES AS FXR MODULATORS Merck Patent GmbH (DE) 2010-12-22 EP claimed
WO-2009127321-A1 BENZOFURANE, BENZOTHIOPHENE, BENZOTHIAZOL DERIVATIVES AS FXR MODULATORS MERCK PATENT GMBH, (DE) 2009-10-22 WO claimed
EP-2110374-A1 Benzofurane, benzothiophene, benzothiazol derivatives as FXR modulators Merck Sante (FR) 2009-10-21 EP claimed
EP-3043865-B1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION INST NAT SANTE RECH MED (FR) 2020-11-04 EP disclosed
EP-3711762-A1 A FARNESOID X RECEPTOR AGONSITS FORUSE AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CHRONIC HEPATITIS B VIRUS INFECTION INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2020-09-23 EP disclosed
US-10071108-B2 Methods and pharmaceutical compositions for the treatment of hepatitis b virus infection INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2018-09-11 US disclosed
US-20180169115-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2018-06-21 US disclosed
US-9895380-B2 Methods and pharmaceutical compositions for the treatment of hepatitis B virus infection INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2018-02-20 US disclosed
US-20160220586-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2016-08-04 US disclosed
EP-3043865-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION Institut National de la Santé et de la Recherche Médicale (INSERM) (FR) 2016-07-20 EP disclosed
WO-2015036442-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2015-03-19 WO disclosed
EP-2262785-B1 BENZOFURANE DERIVATIVES AS FXR MODULATORS MERCK PATENT GMBH (DE) 2015-01-14 EP disclosed
US-8575161-B2 Benzofurane, benzothiophene, benzothiazol derivatives as FXR modulators MERCK PATENT GMBH (DE) 2013-11-05 US disclosed
US-20110105475-A1 BENZOFURANE, BENZOTHIOPHENE, BENZOTHIAZOL DERIVATIVES AS FXR MODULATORS MERXCK PATENT GESELLSCHAFT (DE) 2011-05-05 US disclosed
EP-2262785-A1 BENZOFURANE, BENZOTHIOPHENE, BENZOTHIAZOL DERIVATIVES AS FXR MODULATORS Merck Patent GmbH (DE) 2010-12-22 EP disclosed
WO-2009127321-A1 BENZOFURANE, BENZOTHIOPHENE, BENZOTHIAZOL DERIVATIVES AS FXR MODULATORS MERCK PATENT GMBH, (DE) 2009-10-22 WO disclosed
EP-2110374-A1 Benzofurane, benzothiophene, benzothiazol derivatives as FXR modulators Merck Sante (FR) 2009-10-21 EP 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-20180169115-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION NR1H4, FXR2, FXR1 NR1H4 1/4885GBA1 636/4885HPGD 1067/4885
US-20160220586-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION NR1H4, NR1H3, FXR2 NR1H4 1/4885GBA1 656/4885HPGD 860/4885
US-20110105475-A1 BENZOFURANE, BENZOTHIOPHENE, BENZOTHIAZOL DERIVATIVES AS FXR MODULATORS FXR1, FXR2, NR1H4 NR1H4 3/4885GBA1 1191/4885HPGD 1045/4885
US-10071108-B2 Methods and pharmaceutical compositions for the treatment of hepatitis b virus infection NR1H4, FXR2, FXR1 NR1H4 1/4885GBA1 636/4885HPGD 1067/4885

“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.