SCHEMBL4366323

SCHEMBL4366323

COc1cc(C=C2SC(=O)NC2=O)ccc1Oc1ccc(C(F)(F)F)cc1C(=O)O

nearest known ligand 0.86

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 16/20 0.86
CYP3A4 P08684 5/20 0.77
PIM1 P11309 1/20 0.60
PDE4B Q07343 1/20 0.60
PIM3 Q86V86 1/20 0.60
PIM2 Q9P1W9 1/20 0.60
ESRRB O95718 1/20 0.60
ESR1 P03372 1/20 0.60
ESRRG P62508 1/20 0.60
ESR2 Q92731 1/20 0.60
FOXM1 Q08050 1/20 0.57
HPGD P15428 1/20 0.56

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
SCHEMBL4366320 1.00 ESRRA (0.86) ESRRACYP3A4PIM1PDE4BPIM3
SCHEMBL8158974 0.92 ESRRA (1.00) ESRRACYP3A4PIM1PDE4BPIM3
SCHEMBL2383359 0.92 ESRRA (1.00) ESRRACYP3A4PIM1PDE4BPIM3
SCHEMBL2383361 0.92 ESRRA (1.00) ESRRACYP3A4PIM1PDE4BPIM3
SCHEMBL2381635 0.91 ESRRA (0.84) ESRRACYP3A4PIM1PDE4BPIM3
SCHEMBL2381640 0.91 ESRRA (0.84) ESRRACYP3A4PIM1PDE4BPIM3
SCHEMBL8166036 0.91 ESRRA (0.84) ESRRACYP3A4PIM1PDE4BPIM3
SCHEMBL2384250 0.87 ESRRA (1.00) ESRRACYP3A4PIM1PDE4BPIM3
SCHEMBL8170341 0.87 ESRRA (1.00) ESRRACYP3A4PIM1PDE4BPIM3
SCHEMBL2380967 0.87 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-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.