SCHEMBL13243485

SCHEMBL13243485

Cc1cc(OCc2c(-c3c(Cl)cccc3Cl)noc2C(C)C)cnc1C(=O)Nc1cccc(C(=O)O)c1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 20/20 0.74
▸ LIFR P42702 4/20 0.62
▸ MEN1 O00255 1/20 0.57
▸ FABP1 P07148 1/20 0.57
▸ THRB P10828 1/20 0.57
▸ RECQL P46063 1/20 0.57
▸ BLM P54132 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ HSD17B13 Q7Z5P4 1/20 0.57

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
SCHEMBL2128257 0.83 NR1H4 (0.70) NR1H4LIFR
SCHEMBL4422984 0.82 NR1H4 (0.73) NR1H4LIFRMEN1FABP1THRB
SCHEMBL30080777 0.81 NR1H4 (1.00) NR1H4LIFRMEN1FABP1THRB
SCHEMBL28535262 0.81 NR1H4 (1.00) NR1H4LIFRMEN1FABP1THRB
SCHEMBL4426866 0.80 NR1H4 (0.86) NR1H4LIFRMEN1FABP1THRB
SCHEMBL2152799 0.80 NR1H4 (0.75) NR1H4LIFR
SCHEMBL4426877 0.79 NR1H4 (0.74) NR1H4LIFR
SCHEMBL4424563 0.78 NR1H4 (0.76) NR1H4LIFRMEN1FABP1THRB
SCHEMBL4842285 0.78 NR1H4 (0.74) NR1H4LIFRMEN1FABP1THRB
SCHEMBL4426868 0.78 NR1H4 (0.75) NR1H4LIFRMEN1FABP1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210085662-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR REDUCING PERSISTENCE AND EXPRESSION OF EPISOMAL VIRUSES INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2021-03-25 — — 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
US-20100184809-A1 Heterocyclic FXR Binding Compounds PHENEX PHARMACEUTICALS AG (DE) 2010-07-22 — — US disclosed
US-20100184809-A1 Heterocyclic FXR Binding Compounds PHENEX PHARMACEUTICALS AG (DE) 2010-07-22 — — 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 (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 1/4885LIFR 3138/4885MEN1 4283/4885
US-20210085662-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR REDUCING PERSISTENCE AND EXPRESSION OF EPISOMAL VIRUSES NR1H4, ABCB11, FXR1 NR1H4 1/4885LIFR 2784/4885MEN1 4232/4885
US-20160220586-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION NR1H4, NR1H3, FXR2 NR1H4 1/4885LIFR 2940/4885MEN1 4150/4885
US-20100184809-A1 Heterocyclic FXR Binding Compounds NR1H4, NR1H2, NR1H3 NR1H4 1/4885LIFR 1535/4885MEN1 3626/4885

“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.

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