Sugi Predict

Sugi Predict / Compounds / SCHEMBL4401164

SCHEMBL4401164

SCHEMBL4401164

COc1cc(/C=C2\SC(=O)N(CCn3cncn3)C2=O)ccc1Oc1ccc(C)cc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 6/20 0.51
▸ MAPT P10636 4/20 0.51
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ RAD52 P43351 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.46
▸ ESRRA P11474 5/20 0.46
▸ CYP3A4 P08684 2/20 0.44
▸ KLK7 P49862 1/20 0.44
▸ KLK5 Q9Y337 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ ESRRB O95718 1/20 0.43
▸ ESR1 P03372 1/20 0.43
▸ ESRRG P62508 1/20 0.43
▸ ESR2 Q92731 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ENPP2 Q13822 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42

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
SCHEMBL648917 0.89 ESRRA (0.58) NPSR1MAPTMEN1KMT2AALDH1A1
SCHEMBL648919 0.89 ESRRA (0.58) NPSR1MAPTMEN1KMT2AALDH1A1
SCHEMBL4401980 0.84 ESRRA (0.54) NPSR1MAPTMEN1KMT2ARAD52
SCHEMBL4403989 0.83 ESRRA (0.53) NPSR1MAPTMEN1KMT2ARAD52
SCHEMBL4402130 0.83 ESRRA (0.55) NPSR1MAPTMEN1KMT2ARAD52
SCHEMBL4403335 0.79 ESRRA (0.45) NPSR1MEN1KMT2AALDH1A1ESRRA
SCHEMBL651323 0.77 ESRRA (0.58) NPSR1MAPTMEN1KMT2AALDH1A1
SCHEMBL648904 0.77 ESRRA (0.58) NPSR1MAPTMEN1KMT2AALDH1A1
SCHEMBL649113 0.76 ESRRA (0.58) NPSR1MAPTMEN1KMT2AALDH1A1
SCHEMBL649112 0.76 ESRRA (0.58) NPSR1MAPTMEN1KMT2AALDH1A1

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 NPSR1 2974/4885MAPT 332/4885MEN1 3282/4885
US-20080286265-A1 SUBSTITUTED PHENOXY N-ALKYLATED THIAZOLIDINEDIONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, ESRRG NPSR1 2974/4885MAPT 332/4885MEN1 3282/4885

“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.