SCHEMBL695243

SCHEMBL695243

COc1ccc(CBr)c(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 18/20 0.54
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PPARG P37231 3/20 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
SCHEMBL758543 0.85 AR (0.41) EPHX2
SCHEMBL1992428 0.84 EPHX2 (0.58) EPHX2PPARG
SCHEMBL8417817 0.84 EPHX2 (0.58) EPHX2PPARG
SCHEMBL29673238 0.82 EPHX2 (0.54) EPHX2PPARG
SCHEMBL25735774 0.82 EPHX2 (0.54) EPHX2PPARG
SCHEMBL2260460 0.82 EPHX2 (0.54) EPHX2PPARG
SCHEMBL14675824 0.80 EPHX2 (0.46) EPHX2
SCHEMBL12509564 0.79 EPHX2 (0.51) EPHX2PPARG
SCHEMBL695601 0.78 EPHX2 (0.42) EPHX2PPARG
SCHEMBL29822568 0.77 EPHX2 (0.60) EPHX2MEN1KMT2APPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796256-B2 Substituted thiazolidinedione indazoles, indoles and benzotriazoles as estrogen-related receptor-α modulators JANSSEN PHARMACEUTICA NV (BE) 2014-08-05 US disclosed
US-8772277-B2 Nitrogen-containing heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-08 US disclosed
EP-2536717-B1 AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-06-04 EP disclosed
EP-2536716-B1 AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-05-21 EP disclosed
US-8445690-B2 Aminothiazolones as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA NV (BE) 2013-05-21 US disclosed
US-8426604-B2 Aminothiazolones as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA NV (BE) 2013-04-23 US disclosed
US-20130072467-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED 2013-03-21 US disclosed
US-8399681-B2 Substituted aminothiazolone indazoles as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA NV (BE) 2013-03-19 US disclosed
US-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 US disclosed
WO-2013018929-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-07 WO disclosed
WO-2011149841-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-α MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-12-01 WO disclosed
US-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-12-01 US disclosed
WO-2011103130-A1 AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-08-25 WO disclosed
WO-2011103134-A1 AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-08-25 WO disclosed
US-20110200587-A1 AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-08-18 US disclosed
US-20110200586-A1 AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-08-18 US disclosed
WO-2011075565-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-Aα MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-06-23 WO disclosed
US-20110150864-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-06-23 US disclosed
WO-2010122089-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INHIBITORS GLAXO GROUP LIMITED (GB) 2010-10-28 WO disclosed
US-20100273744-A1 COMPOUNDS GORE PAUL MARTIN 2010-10-28 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 (6 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-20110200587-A1 AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, ESRRG EPHX2 3815/4885MEN1 2511/4885KMT2A 1349/4885
US-20130072467-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND ESRRA, ESRRB, ESR2 EPHX2 1991/4885MEN1 2128/4885KMT2A 994/4885
US-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS ESR2, IGF1R, ESRRA EPHX2 3639/4885MEN1 2852/4885KMT2A 1077/4885
US-20110200586-A1 AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, ESRRG EPHX2 3815/4885MEN1 2511/4885KMT2A 1349/4885
US-20110150864-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, IGF1R EPHX2 4352/4885MEN1 2751/4885KMT2A 1749/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 EPHX2 367/4885MEN1 3849/4885KMT2A 1734/4885

“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.