SCHEMBL12299708

SCHEMBL12299708

O=C1NC(=O)/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3Br)c(O)c2)S1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 9/20 0.76
CYP3A4 P08684 2/20 0.76
PTPN1 P18031 4/20 0.63
PIM1 P11309 3/20 0.57
PIM2 Q9P1W9 3/20 0.57
CISD1 Q9NZ45 2/20 0.57
TTR P02766 1/20 0.57
HPGD P15428 2/20 0.52
CDC7 O00311 1/20 0.50
DAPK3 O43293 1/20 0.50
DYRK3 O43781 1/20 0.50
MAP4K4 O95819 1/20 0.50
PHKG2 P15735 1/20 0.50
RPS6KB1 P23443 1/20 0.50
CSNK1D P48730 1/20 0.50
CLK2 P49760 1/20 0.50
GSK3A P49840 1/20 0.50
GSK3B P49841 1/20 0.50
NEK4 P51957 1/20 0.50
CSNK2A1 P68400 1/20 0.50

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
SCHEMBL12299714 0.88 ESRRA (0.64) ESRRACYP3A4PTPN1PIM1PIM2
SCHEMBL8170341 0.87 ESRRA (1.00) ESRRACYP3A4PTPN1PIM1PIM2
SCHEMBL2380967 0.87 ESRRA (1.00) ESRRACYP3A4PTPN1PIM1PIM2
SCHEMBL2384250 0.87 ESRRA (1.00) ESRRACYP3A4PTPN1PIM1PIM2
SCHEMBL12299692 0.85 ESRRA (0.78) ESRRACYP3A4PIM1PIM2CISD1
SCHEMBL13057026 0.84 PTPN1 (0.59) ESRRACYP3A4PTPN1PIM1PIM2
SCHEMBL12299735 0.84 CISD1 (0.59) ESRRACYP3A4PTPN1PIM1PIM2
SCHEMBL12299738 0.83 ESRRA (0.60) ESRRACYP3A4PTPN1PIM1PIM2
SCHEMBL12299701 0.81 ESRRA (0.76) ESRRACYP3A4PIM1PIM2CISD1
SCHEMBL13055275 0.80 ESRRA (0.61) ESRRACYP3A4PIM1PIM2CISD1

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-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
US-20090111855-A1 SUBSTITUTED PHENOXY THIAZOLIDINEDIONES AS ESTROGEN RELATED RECEPTOR-alpha MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 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-20110237625-A1 SUBSTITUTED PHENOXY THIAZOLIDINEDIONES AS ESTROGEN RELATED RECEPTOR-á MODULATORS ESR2, ESRRA, ESRRB ESRRA 2/4885CYP3A4 1190/4885PTPN1 655/4885
US-20090111855-A1 SUBSTITUTED PHENOXY THIAZOLIDINEDIONES AS ESTROGEN RELATED RECEPTOR-alpha MODULATORS ESR2, ESRRA, ESRRG ESRRA 2/4885CYP3A4 1174/4885PTPN1 763/4885

“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.