SCHEMBL649120

SCHEMBL649120

COc1cc(C=C2SC(=O)N(CCN3CCN(C)CC3)C2=O)ccc1Oc1ccc(C#N)cc1C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 15/20 0.62
ESRRB O95718 1/20 0.62
ESR1 P03372 1/20 0.62
ESRRG P62508 1/20 0.62
ESR2 Q92731 1/20 0.62
VHL P40337 1/20 0.46
CYP3A4 P08684 2/20 0.46
IKBKB O14920 2/20 0.45
NPSR1 Q6W5P4 2/20 0.43
KLK7 P49862 1/20 0.43
KLK5 Q9Y337 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL649119 1.00 ESRRA (0.62) ESRRAESRRBESR1ESRRGESR2
SCHEMBL648125 0.95 ESRRA (0.63) ESRRAESRRBESR1ESRRGESR2
SCHEMBL648126 0.95 ESRRA (0.63) ESRRAESRRBESR1ESRRGESR2
SCHEMBL648910 0.94 ESRRA (0.62) ESRRAESRRBESR1ESRRGESR2
SCHEMBL650091 0.94 ESRRA (0.62) ESRRAESRRBESR1ESRRGESR2
SCHEMBL648909 0.94 ESRRA (0.62) ESRRAESRRBESR1ESRRGESR2
SCHEMBL651256 0.94 ESRRA (0.62) ESRRAESRRBESR1ESRRGESR2
SCHEMBL650136 0.93 ESRRA (0.62) ESRRAESRRBESR1ESRRGESR2
SCHEMBL650137 0.93 ESRRA (0.62) ESRRAESRRBESR1ESRRGESR2
SCHEMBL648616 0.88 ESRRA (0.62) ESRRAESRRBESR1ESRRGESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119669-B2 Substituted phenoxy N-alkylated thiazolidinediones as estrogen related receptor-α modulators JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-21 US claimed
EP-2132188-B1 SUBSTITUTED PHENOXY N-ALKYLATED THIAZOLEDINEDIONE AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-12-14 EP claimed
US-20080286265-A1 SUBSTITUTED PHENOXY N-ALKYLATED THIAZOLIDINEDIONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-11-20 US claimed
US-9034852-B2 Substituted phenoxy N-alkylated thiazolidinediones as estrogen related receptor-α modulators JANSSEN PHARMACEUTICA N.V. (BE) 2015-05-19 US disclosed
EP-2536716-B1 AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-05-21 EP disclosed
EP-2582674-A1 GPR120 RECEPTOR AGONISTS AND USES THEREOF Metabolex Inc. (US) 2013-04-24 EP disclosed
US-20120108571-A1 SUBSTITUTED PHENOXY N-ALKYLATED THIAZOLIDINEDIONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS GAUL MICHAEL (US) 2012-05-03 US disclosed
US-8119669-B2 Substituted phenoxy N-alkylated thiazolidinediones as estrogen related receptor-α modulators JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-21 US disclosed
WO-2011159297-A1 GPR120 RECEPTOR AGONISTS AND USES THEREOF METABOLEX, INC. (US) 2011-12-22 WO disclosed
EP-2132188-B1 SUBSTITUTED PHENOXY N-ALKYLATED THIAZOLEDINEDIONE AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-12-14 EP disclosed
US-20080286265-A1 SUBSTITUTED PHENOXY N-ALKYLATED THIAZOLIDINEDIONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-11-20 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 (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-20120108571-A1 SUBSTITUTED PHENOXY N-ALKYLATED THIAZOLIDINEDIONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, ESRRG ESRRA 2/4885ESRRB 4/4885ESR1 7/4885
US-20080286265-A1 SUBSTITUTED PHENOXY N-ALKYLATED THIAZOLIDINEDIONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, ESRRG ESRRA 2/4885ESRRB 4/4885ESR1 7/4885

“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.