SCHEMBL2380970

SCHEMBL2380970

COc1cc(C=O)ccc1Oc1ccc(C(F)(F)F)cc1C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 5/20 0.54
ALDH1A1 P00352 2/20 0.52
TSHR P16473 1/20 0.52
TTR P02766 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
NQO2 P16083 1/20 0.46
SCN8A Q9UQD0 2/20 0.45
SCN10A Q9Y5Y9 2/20 0.45
CYP3A4 P08684 1/20 0.44
FDPS P14324 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL2380688 0.89 ESRRA (0.66) ESRRAALDH1A1TSHRTTRKDM4E
SCHEMBL4638505 0.85 HTT (0.51) ESRRASCN8ASCN10A
SCHEMBL6857313 0.83 L3MBTL1 (0.57) ESRRAALDH1A1TSHRTTRKDM4E
SCHEMBL4638408 0.82 CFTR (0.50) ALDH1A1KDM4EMEN1MAPTHPGD
SCHEMBL29617695 0.82 CFTR (0.50) ALDH1A1KDM4EMEN1MAPTHPGD
SCHEMBL2699247 0.81 ESRRA (0.64) ESRRAALDH1A1TSHRTTRKDM4E
SCHEMBL8166036 0.81 ESRRA (0.84) ESRRAHPGDCYP3A4
SCHEMBL2381640 0.81 ESRRA (0.84) ESRRAHPGDCYP3A4
SCHEMBL2381635 0.81 ESRRA (0.84) ESRRAHPGDCYP3A4
SCHEMBL2382784 0.80 ESRRA (0.64) ESRRAALDH1A1TSHRTTRKDM4E

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-8344009-B2 Substituted phenoxy thiazolidinediones as estrogen related receptor-á modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-01-01 US disclosed
US-20110237625-A1 SUBSTITUTED PHENOXY THIAZOLIDINEDIONES AS ESTROGEN RELATED RECEPTOR-á MODULATORS JANSSEN PHARAMCEUTICA N.V. (BE) 2011-09-29 US disclosed
US-7846953-B2 Substituted phenoxy thiazolidinediones as estrogen related receptor-α modulators JANSSEN PHARMACEUTICA, NV (BE) 2010-12-07 US disclosed
EP-2129668-A1 SUBSTITUTED PHENOXY THIAZOLIDINEDIONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS Janssen Pharmaceutica N.V. (BE) 2009-12-09 EP disclosed
US-20090111855-A1 SUBSTITUTED PHENOXY THIAZOLIDINEDIONES AS ESTROGEN RELATED RECEPTOR-alpha MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 US disclosed
WO-2008109727-A1 SUBSTITUTED PHENOXY THIAZOLIDINEDIONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-12 WO 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-20110237625-A1 SUBSTITUTED PHENOXY THIAZOLIDINEDIONES AS ESTROGEN RELATED RECEPTOR-á MODULATORS ESR2, ESRRA, ESRRB ESRRA 2/4885ALDH1A1 2147/4885TSHR 257/4885
US-20090111855-A1 SUBSTITUTED PHENOXY THIAZOLIDINEDIONES AS ESTROGEN RELATED RECEPTOR-alpha MODULATORS ESR2, ESRRA, ESRRG ESRRA 2/4885ALDH1A1 2124/4885TSHR 282/4885

“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.