SCHEMBL5858853

SCHEMBL5858853

COC(=O)c1cc2cc(OC(=S)N(C)C)ccc2o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.52
MAPT P10636 2/20 0.47
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TAS1R3 Q7RTX0 8/20 0.45
TAS1R1 Q7RTX1 8/20 0.45
PIM1 P11309 1/20 0.44
KDM4E B2RXH2 2/20 0.43
OXTR P30559 1/20 0.42
CA2 P00918 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
BCAT1 P54687 1/20 0.41

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
SCHEMBL8696625 0.82 FLT3 (0.76) FLT3MAPTCASP3SENP7TDP1
SCHEMBL446971 0.81 TAS1R3 (0.64) FLT3MAPTCASP3SENP7TDP1
SCHEMBL3553411 0.77 HGFAC (0.53) MAPTKDM4ECA2ALDH1A1KMT2A
SCHEMBL10845423 0.75 HGFAC (0.51) MAPTCASP3SENP7TDP1KDM4E
SCHEMBL5859781 0.74 LMNA (0.41) FLT3MAPTCASP3SENP7TDP1
SCHEMBL9048693 0.74 PIM1 (0.49) FLT3MAPTCASP3SENP7TDP1
SCHEMBL9989067 0.74 MAOB (0.55) FLT3MAPTTAS1R3TAS1R1KDM4E
SCHEMBL1065473 0.73 TAS1R3 (0.55) MAPTCASP3SENP7TDP1TAS1R3
SCHEMBL211674 0.73 FLT3 (0.67) FLT3MAPTCASP3SENP7TDP1
SCHEMBL445684 0.73 LMNA (0.68) FLT3MAPTCASP3SENP7TDP1

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 FLT3 768/4885MAPT 4782/4885CASP3 2107/4885
US-20030207915-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARD, PPARG FLT3 768/4885MAPT 4782/4885CASP3 2107/4885
US-20050107442-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARD, PPARG FLT3 768/4885MAPT 4782/4885CASP3 2107/4885

“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.