SCHEMBL5859709

SCHEMBL5859709

CN(C)C(=S)Oc1ccc2c(c1)CCCC2=O

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOB P27338 18/20 0.49
MAOA P21397 15/20 0.49
PRKCI P41743 1/20 0.49
BAZ2B Q9UIF8 1/20 0.45
HSD17B1 P14061 1/20 0.44

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
SCHEMBL9027437 0.89 MAOB (0.49) MAOBMAOAPRKCIBAZ2B
SCHEMBL7976706 0.87 MAOB (0.39) MAOBMAOAPRKCI
SCHEMBL8319226 0.80 BAZ2B (0.56) MAOBMAOAPRKCIBAZ2BHSD17B1
SCHEMBL17996957 0.77 BAZ2B (0.57) MAOBMAOAPRKCIBAZ2BHSD17B1
SCHEMBL9403386 0.77 MAOA (0.53) MAOBMAOAPRKCIBAZ2B
SCHEMBL6628767 0.77 MAOA (0.54) MAOBMAOAPRKCIBAZ2BHSD17B1
SCHEMBL11727398 0.76 MAOB (0.53) MAOBMAOAPRKCIBAZ2BHSD17B1
SCHEMBL11735810 0.76 MAOA (0.54) MAOBMAOAPRKCIBAZ2BHSD17B1
SCHEMBL115638 0.76 MAOA (0.58) MAOBMAOAPRKCIHSD17B1
SCHEMBL5650141 0.76 MAOB (0.52) MAOBMAOAPRKCIBAZ2B

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 MAOB 3174/4885MAOA 3545/4885PRKCI 323/4885
US-20030207915-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARD, PPARG MAOB 3174/4885MAOA 3545/4885PRKCI 323/4885
US-20050107442-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARD, PPARG MAOB 3174/4885MAOA 3545/4885PRKCI 323/4885

“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.