SCHEMBL8159552

SCHEMBL8159552

COc1cc(/C=C2\SC(=O)NC2=O)ccc1Oc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 17/20 1.00
CYP3A4 P08684 4/20 0.78
PIM1 P11309 1/20 0.64
PDE4B Q07343 1/20 0.64
PIM3 Q86V86 1/20 0.64
PIM2 Q9P1W9 1/20 0.64
ESRRB O95718 1/20 0.63
ESR1 P03372 1/20 0.63
ESRRG P62508 1/20 0.63
ESR2 Q92731 1/20 0.63
FOXM1 Q08050 1/20 0.60
IGF1R P08069 1/20 0.57

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
SCHEMBL2383139 1.00 ESRRA (1.00) ESRRACYP3A4PIM1PDE4BPIM3
SCHEMBL2383143 1.00 ESRRA (1.00) ESRRACYP3A4PIM1PDE4BPIM3
SCHEMBL8170341 0.88 ESRRA (1.00) ESRRACYP3A4PIM1PDE4BPIM3
SCHEMBL2384250 0.88 ESRRA (1.00) ESRRACYP3A4PIM1PDE4BPIM3
SCHEMBL2380967 0.88 ESRRA (1.00) ESRRACYP3A4PIM1PDE4BPIM3
SCHEMBL2383359 0.85 ESRRA (1.00) ESRRACYP3A4PIM1PDE4BPIM3
SCHEMBL8158974 0.85 ESRRA (1.00) ESRRACYP3A4PIM1PDE4BPIM3
SCHEMBL8170008 0.85 ESRRA (1.00) ESRRACYP3A4ESRRBESR1ESRRG
SCHEMBL4366323 0.85 ESRRA (0.86) ESRRACYP3A4PIM1PDE4BPIM3
SCHEMBL2383361 0.85 ESRRA (1.00) ESRRACYP3A4PIM1PDE4BPIM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8344009-B2 Substituted phenoxy thiazolidinediones as estrogen related receptor-á modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-01-01 US disclosed
US-8344009-B2 Substituted phenoxy thiazolidinediones as estrogen related receptor-á modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-01-01 US disclosed
US-20110237625-A1 SUBSTITUTED PHENOXY THIAZOLIDINEDIONES AS ESTROGEN RELATED RECEPTOR-á MODULATORS JANSSEN PHARAMCEUTICA N.V. (BE) 2011-09-29 US disclosed
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-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
US-20090111855-A1 SUBSTITUTED PHENOXY THIAZOLIDINEDIONES AS ESTROGEN RELATED RECEPTOR-alpha MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 US disclosed
WO-2008109727-A1 SUBSTITUTED PHENOXY THIAZOLIDINEDIONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-12 WO 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 1190/4885PIM1 1065/4885
US-20090111855-A1 SUBSTITUTED PHENOXY THIAZOLIDINEDIONES AS ESTROGEN RELATED RECEPTOR-alpha MODULATORS ESR2, ESRRA, ESRRG ESRRA 2/4885CYP3A4 1174/4885PIM1 977/4885

“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.