SCHEMBL647235

SCHEMBL647235

N#Cc1ccc(Oc2ccc(C=C3SC(=O)N(CCN4CCCC4)C3=O)cc2F)c(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 7/20 0.50
ESRRB O95718 1/20 0.50
ESR1 P03372 1/20 0.50
ESRRG P62508 1/20 0.50
ESR2 Q92731 1/20 0.50
SLC2A1 P11166 2/20 0.40
VHL P40337 1/20 0.39
IKBKB O14920 2/20 0.38
PTPN1 P18031 2/20 0.38
PTPN2 P17706 1/20 0.38
ACP1 P24666 1/20 0.38
LMNA P02545 1/20 0.37
CYP2C9 P11712 1/20 0.37
AMY1A P0DUB6 1/20 0.37
DPP4 P27487 1/20 0.37
MITF O75030 1/20 0.36
KMT2A Q03164 1/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL647234 1.00 ESRRA (0.50) ESRRAESRRBESR1ESRRGESR2
SCHEMBL651354 0.94 ESRRA (0.49) ESRRAESRRBESR1ESRRGESR2
SCHEMBL651353 0.94 ESRRA (0.49) ESRRAESRRBESR1ESRRGESR2
SCHEMBL648125 0.91 ESRRA (0.63) ESRRAESRRBESR1ESRRGESR2
SCHEMBL4405009 0.91 ESRRA (0.49) ESRRAESRRBESR1ESRRGESR2
SCHEMBL648126 0.91 ESRRA (0.63) ESRRAESRRBESR1ESRRGESR2
SCHEMBL4403939 0.91 ESRRA (0.49) ESRRAESRRBESR1ESRRGESR2
SCHEMBL648910 0.90 ESRRA (0.62) ESRRAESRRBESR1ESRRGESR2
SCHEMBL648909 0.90 ESRRA (0.62) ESRRAESRRBESR1ESRRGESR2
SCHEMBL651256 0.90 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 8 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
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
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.