SCHEMBL4401980

SCHEMBL4401980

COc1cc(/C=C2\SC(=O)N(CCN3CCCC3)C2=O)ccc1Oc1ccc(C)cc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 8/20 0.54
NPSR1 Q6W5P4 4/20 0.51
MAPT P10636 3/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
RAD52 P43351 1/20 0.50
CYP3A4 P08684 2/20 0.49
ESRRB O95718 1/20 0.47
ESR1 P03372 1/20 0.47
ESRRG P62508 1/20 0.47
ESR2 Q92731 1/20 0.47
ALDH1A1 P00352 3/20 0.46
KLK7 P49862 1/20 0.46
KLK5 Q9Y337 1/20 0.46
MAPK1 P28482 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ENPP2 Q13822 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL4403989 0.99 ESRRA (0.53) ESRRANPSR1MAPTMEN1KMT2A
SCHEMBL4402130 0.94 ESRRA (0.55) ESRRANPSR1MAPTMEN1KMT2A
SCHEMBL648126 0.89 ESRRA (0.63) ESRRANPSR1MAPTMEN1KMT2A
SCHEMBL648125 0.89 ESRRA (0.63) ESRRANPSR1MAPTMEN1KMT2A
SCHEMBL650091 0.88 ESRRA (0.62) ESRRANPSR1MAPTMEN1KMT2A
SCHEMBL651256 0.88 ESRRA (0.62) ESRRANPSR1MAPTMEN1KMT2A
SCHEMBL648910 0.88 ESRRA (0.62) ESRRANPSR1MAPTMEN1KMT2A
SCHEMBL648909 0.88 ESRRA (0.62) ESRRANPSR1MAPTMEN1KMT2A
SCHEMBL4401164 0.84 NPSR1 (0.51) ESRRANPSR1MAPTMEN1KMT2A
SCHEMBL649120 0.83 ESRRA (0.62) ESRRANPSR1MEN1KMT2ACYP3A4

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-9034852-B2 Substituted phenoxy N-alkylated thiazolidinediones as estrogen related receptor-α modulators JANSSEN PHARMACEUTICA N.V. (BE) 2015-05-19 US disclosed
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 2/4885NPSR1 2974/4885MAPT 332/4885
US-20080286265-A1 SUBSTITUTED PHENOXY N-ALKYLATED THIAZOLIDINEDIONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, ESRRG ESRRA 2/4885NPSR1 2974/4885MAPT 332/4885

“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.