SCHEMBL5675873

SCHEMBL5675873

CC(=O)Oc1c(O)ccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.54
HSD17B10 Q99714 3/20 0.54
MAPT P10636 3/20 0.54
HTT P42858 2/20 0.54
GAA P10253 2/20 0.54
TP53 P04637 1/20 0.54
PTPN22 Q9Y2R2 1/20 0.47
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
GLA P06280 1/20 0.45
ERN1 O75460 1/20 0.44
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
G6PD P11413 1/20 0.44
GSK3B P49841 1/20 0.43
ADK P55263 1/20 0.43
USP2 O75604 1/20 0.43
PAK1 Q13153 1/20 0.43
HCRTR1 O43613 1/20 0.43
CYP1A2 P05177 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
SCHEMBL8685474 0.84 HSD17B10 (0.50) KDM4EHSD17B10GAAPTPN22ALDH1A1
SCHEMBL998061 0.83 ELANE (0.42) KDM4EHSD17B10MAPTHTTGAA
SCHEMBL9488962 0.82 HTT (0.54) KDM4EHSD17B10MAPTHTTGAA
SCHEMBL453345 0.82 KDM4E (0.58) KDM4EHSD17B10MAPTHTTGAA
SCHEMBL10040401 0.82 PTPN22 (0.47) KDM4EHSD17B10MAPTGAAPTPN22
SCHEMBL29356413 0.82 KDM4E (0.58) KDM4EHSD17B10MAPTHTTGAA
SCHEMBL9125063 0.81 HSD17B10 (0.59) KDM4EHSD17B10MAPTGAAPTPN22
SCHEMBL30060732 0.81 NCEH1 (0.46) KDM4EHSD17B10MAPTHTTGAA
SCHEMBL6621295 0.81 HPGD (0.46) KDM4EHSD17B10MAPTHTTGAA
SCHEMBL27409488 0.81 HTT (0.45) KDM4EHSD17B10MAPTHTTGAA

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
EP-1613326-B1 (3-{3-'(2,4-BIS-TRIFLUORMETHYL-BENZYL)-(5-ETHYL-PYRIMIDIN-2-YL)-AMINO]-PROPOXY}-PHENYL)-ACETIC ACID AND RELATED COMPOUNDS AS MODULATORS OF PPARS AND METHODS OF TREATING METABOLIC DISORDERS KALYPSYS INC (US) 2006-09-13 EP disclosed
EP-1613326-A1 (3-{3-´(2,4-BIS-TRIFLUORMETHYL-BENZYL)-(5-ETHYL-PYRIMIDIN-2-YL)-AMINO!-PROPOXY}-PHENYL)-ACETIC ACID AND RELATED COMPOUNDS AS MODULATORS OF PPARS AND METHODS OF TREATING METABOLIC DISORDERS Kalypsys, Inc. (US) 2006-01-11 EP disclosed
US-20050070532-A1 Aryl compounds as modulators of PPARS and methods of treating metabolic disorders KALYPSYS, INC. 2005-03-31 US disclosed
WO-2004093879-A1 (3-{3-‘(2,4-BIS-TRIFLUORMETHYL-BENZYL)-(5-ETHYL-PYRIMIDIN-2-YL)-AMINO!-PROPOXY}-PHENYL)-ACETIC ACID AND RELATED COMPOUNDS AS MODULATORS OF PPARS AND METHODS OF TREATING METABOLIC DISORDERS KALYPSYS, INC. (US) 2004-11-04 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 (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-20050070532-A1 Aryl compounds as modulators of PPARS and methods of treating metabolic disorders PPARG, PPARA, PPARD KDM4E 2778/4885HSD17B10 131/4885MAPT 3770/4885

“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.