SCHEMBL4404948

SCHEMBL4404948

CN(C)CCN1C(=O)S/C(=C\c2ccc(Oc3ccc(C#N)cc3C(F)(F)F)c(O)c2)C1=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 2/20 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 0.47
PDE4B Q07343 2/20 0.42
BAG3 O95817 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
VHL P40337 1/20 0.40
USP2 O75604 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTPN1 P18031 1/20 0.38
ACP1 P24666 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ALDH1A1 P00352 1/20 0.38
PPARG P37231 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL651246 0.91 ESRRA (0.51) ESRRAESRRBESR1ESRRGESR2
SCHEMBL649564 0.91 ESRRA (0.51) ESRRAESRRBESR1ESRRGESR2
SCHEMBL648941 0.90 ESRRA (0.63) ESRRAESRRBESR1ESRRGESR2
SCHEMBL648940 0.90 ESRRA (0.63) ESRRAESRRBESR1ESRRGESR2
SCHEMBL10153083 0.87 ESRRA (0.48) ESRRAESRRBESR1ESRRGESR2
SCHEMBL4405009 0.86 ESRRA (0.49) ESRRAESRRBESR1ESRRGESR2
SCHEMBL4403939 0.86 ESRRA (0.49) ESRRAESRRBESR1ESRRGESR2
SCHEMBL4404915 0.85 ESRRA (0.48) ESRRAESRRBESR1ESRRGESR2
SCHEMBL4403335 0.84 ESRRA (0.45) ESRRAESRRBESR1ESRRGESR2
SCHEMBL10110228 0.84 ESRRA (0.45) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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.