SCHEMBL1892877

SCHEMBL1892877

O=C(O)c1cc2c(Cl)c(N3CCCN(S(=O)(=O)c4cc(Cl)ccc4Cl)CC3)ccc2o1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.55
ALDH1A1 P00352 4/20 0.48
TSHR P16473 2/20 0.47
ALOX15 P16050 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TDP1 Q9NUW8 2/20 0.44
CNR1 P21554 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 3/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 3/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
USP2 O75604 1/20 0.41
HTT P42858 2/20 0.41

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
SCHEMBL29880993 1.00 NR1H4 (0.55) NR1H4ALDH1A1TSHRALOX15L3MBTL1
SCHEMBL29881743 0.96 NR1H4 (0.58) NR1H4ALDH1A1TSHRALOX15L3MBTL1
SCHEMBL1892036 0.96 NR1H4 (0.58) NR1H4ALDH1A1TSHRALOX15L3MBTL1
SCHEMBL3459461 0.92 KMT2A (0.48) NR1H4ALDH1A1TSHRALOX15L3MBTL1
SCHEMBL29880653 0.91 NR1H4 (0.68) NR1H4ALDH1A1TSHRALOX15L3MBTL1
SCHEMBL1888275 0.91 NR1H4 (0.68) NR1H4ALDH1A1TSHRALOX15L3MBTL1
SCHEMBL29881042 0.90 NR1H4 (0.60) NR1H4ALDH1A1TSHRTDP1SMN1; SMN2
SCHEMBL1889399 0.90 NR1H4 (0.60) NR1H4ALDH1A1TSHRTDP1SMN1; SMN2
SCHEMBL1882375 0.88 KMT2A (0.51) NR1H4ALDH1A1TSHRALOX15L3MBTL1
SCHEMBL29880918 0.87 NR1H4 (0.57) NR1H4ALDH1A1TSHRALOX15L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105475-A1 BENZOFURANE, BENZOTHIOPHENE, BENZOTHIAZOL DERIVATIVES AS FXR MODULATORS MERXCK PATENT GESELLSCHAFT (DE) 2011-05-05 US claimed
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-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-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 1/4885ALDH1A1 3155/4885TSHR 2137/4885
US-20160220586-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION NR1H4, NR1H3, FXR2 NR1H4 1/4885ALDH1A1 2924/4885TSHR 2004/4885
US-20110105475-A1 BENZOFURANE, BENZOTHIOPHENE, BENZOTHIAZOL DERIVATIVES AS FXR MODULATORS FXR1, FXR2, NR1H4 NR1H4 3/4885ALDH1A1 875/4885TSHR 1235/4885
US-10071108-B2 Methods and pharmaceutical compositions for the treatment of hepatitis b virus infection NR1H4, FXR2, FXR1 NR1H4 1/4885ALDH1A1 3155/4885TSHR 2137/4885

“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.