SCHEMBL4434858

SCHEMBL4434858

N#Cc1ccc(Oc2ccc(C=C3SC(=S)NC3=O)cc2F)c(C(F)(F)F)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 11/20 0.67
ESRRB O95718 1/20 0.67
ESR1 P03372 1/20 0.67
ESRRG P62508 1/20 0.67
ESR2 Q92731 1/20 0.67
PTP4A3 O75365 1/20 0.56
PDE4B Q07343 2/20 0.48
PDE3A Q14432 2/20 0.48
CISD1 Q9NZ45 2/20 0.47
CYP3A4 P08684 1/20 0.47
ADAMTS5 Q9UNA0 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
CDC7 O00311 1/20 0.46
PLK4 O00444 1/20 0.46
DAPK3 O43293 1/20 0.46
DYRK3 O43781 1/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
PRKCG P05129 1/20 0.46

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
SCHEMBL4434856 1.00 ESRRA (0.67) ESRRAESRRBESR1ESRRGESR2
SCHEMBL648931 0.91 ESRRA (0.79) ESRRAESRRBESR1ESRRGESR2
SCHEMBL648930 0.91 ESRRA (0.79) ESRRAESRRBESR1ESRRGESR2
SCHEMBL8163017 0.91 ESRRA (0.79) ESRRAESRRBESR1ESRRGESR2
SCHEMBL4435916 0.89 ESRRA (0.84) ESRRAESRRBESR1ESRRGESR2
SCHEMBL4435911 0.89 ESRRA (0.84) ESRRAESRRBESR1ESRRGESR2
SCHEMBL2380995 0.85 ESRRA (0.85) ESRRAESRRBESR1ESRRGESR2
SCHEMBL8156842 0.85 ESRRA (0.85) ESRRAESRRBESR1ESRRGESR2
SCHEMBL2380997 0.85 ESRRA (0.85) ESRRAESRRBESR1ESRRGESR2
SCHEMBL8164211 0.81 ESRRA (0.78) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580832-B2 Substituted phenoxy aminothiazolones as estrogen related receptor-α modulators JANSSEN PHARMACEUTICA N.V. (BE) 2013-11-12 US disclosed
EP-2134698-A1 SUBSTITUTED PHENOXY AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS Janssen Pharmaceutica, N.V. (BE) 2009-12-23 EP disclosed
WO-2008109737-A1 SUBSTITUTED PHENOXY AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-12 WO disclosed
US-20080221179-A1 SUBSTITUTED PHENOXY AMINOTHIAZOLONES as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-11 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 (1 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-20080221179-A1 SUBSTITUTED PHENOXY AMINOTHIAZOLONES 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.