SCHEMBL5860047

SCHEMBL5860047

CCOC(=O)CC1CCc2cc(S)c(OC)cc21

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.46
MTNR1A P48039 2/20 0.46
MTNR1B P49286 2/20 0.46
HSD17B1 P14061 1/20 0.40
PPARD Q03181 6/20 0.40
CYP11B1 P15538 3/20 0.40
CYP11B2 P19099 3/20 0.40
PPARA Q07869 1/20 0.39
LMNA P02545 1/20 0.39
KCNN2 Q9H2S1 3/20 0.37
KCNN3 Q9UGI6 3/20 0.37
KCNN1 Q92952 1/20 0.37

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
SCHEMBL21538693 0.90 NQO2 (0.56) NQO2MTNR1AMTNR1BHSD17B1PPARD
SCHEMBL23934297 0.84 NQO2 (0.47) NQO2MTNR1AMTNR1BHSD17B1PPARD
SCHEMBL12035547 0.83 NQO2 (0.46) NQO2MTNR1AMTNR1BHSD17B1PPARD
SCHEMBL5861977 0.81 NQO2 (0.43) NQO2MTNR1AMTNR1BHSD17B1PPARD
SCHEMBL821099 0.78 PPARD (0.60) NQO2MTNR1AMTNR1BPPARDPPARA
SCHEMBL821443 0.78 PPARD (0.60) NQO2MTNR1AMTNR1BPPARDPPARA
SCHEMBL1470331 0.78 MTNR1A (0.60) NQO2MTNR1AMTNR1B
SCHEMBL12035617 0.78 PPARD (0.60) NQO2MTNR1AMTNR1BPPARDPPARA
SCHEMBL10260558 0.76 NQO2 (0.40) NQO2MTNR1AMTNR1BHSD17B1PPARD
SCHEMBL28348568 0.76 CYP11B1 (0.42) NQO2MTNR1AMTNR1BHSD17B1PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109222-B2 Compounds that modulate PPAR activity and methods of preparation WARNER-LAMBERT COMPANY, LLC (US) 2006-09-19 US disclosed
US-20050113422-A1 Compounds that modulate PPAR activity and methods of preparation CHENG XUE-MIN (US) 2005-05-26 US disclosed
US-20050107442-A1 Compounds that modulate PPAR activity and methods of preparation CHENG XUE-MIN (US) 2005-05-19 US disclosed
US-6867224-B2 Compounds that modulate PPAR activity and methods of preparation WARNER-LAMBERT COMPANY (US) 2005-03-15 US disclosed
EP-1480641-A1 SUBSTITUTED THIAZOLES AND OXAZOLES THAT MODULATE PPAR ACTIVITY WARNER-LAMBERT COMPANY (US) 2004-12-01 EP disclosed
US-20030207915-A1 Compounds that modulate PPAR activity and methods of preparation CHENG XUE-MIN (US) 2003-11-06 US disclosed
WO-2003074051-A1 SUBSTITUTED THIAZOLES AND OXAZOLES THAT MODULATE PPAR ACTIVITY WARNER-LAMBERT COMPANY LLC (GB) 2003-09-12 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 (3 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-20050113422-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARD, PPARG NQO2 1168/4885MTNR1A 327/4885MTNR1B 258/4885
US-20030207915-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARD, PPARG NQO2 1168/4885MTNR1A 327/4885MTNR1B 258/4885
US-20050107442-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARD, PPARG NQO2 1168/4885MTNR1A 327/4885MTNR1B 258/4885

“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.