SCHEMBL6486872

SCHEMBL6486872

O=S(=O)(Nc1ccc2c(OCc3nc(-c4ccc(OC(F)(F)F)cc4)no3)cccc2c1)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.46
GSK3B P49841 6/20 0.45
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
MAPT P10636 2/20 0.43
PKM P14618 1/20 0.43
XBP1 P17861 1/20 0.43
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
S1PR1 P21453 1/20 0.39

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
SCHEMBL6484697 0.91 PPARA (0.49) PPARAMAPTCYSLTR2CYSLTR1MEN1
SCHEMBL6477166 0.90 MAPK1 (0.52) PPARAMAPTMEN1POLBKMT2A
SCHEMBL6477186 0.90 PPARA (0.47) PPARAMAPTTSHRMAPK1TDP1
SCHEMBL6476402 0.88 PPARA (0.50) PPARAMAPTMEN1KMT2ATSHR
SCHEMBL6486994 0.85 FFAR1 (0.49) PPARAMAPTCYSLTR2CYSLTR1L3MBTL1
SCHEMBL6476308 0.83 CYSLTR2 (0.45) CYSLTR2CYSLTR1
SCHEMBL6486939 0.81 CNR2 (0.40) PPARACYSLTR2CYSLTR1POLBTSHR
SCHEMBL6485920 0.80 SHMT2 (0.44) PPARAMAPTCYSLTR2CYSLTR1
SCHEMBL6477257 0.75 IDO1 (0.43) PPARAMAPTCYSLTR2CYSLTR1MEN1
SCHEMBL6487120 0.74 CYSLTR2 (0.44) CYSLTR2CYSLTR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6933322-B2 Substituted naphthylenes for the treatment of non-insulin dependent diabetes mellitus WYETH (US) 2005-08-23 US disclosed
US-20030216442-A1 Substituted naphthylenes for the treatment of non-insulin dependent diabetes mellitus WYETH 2003-11-20 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 (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-20030216442-A1 Substituted naphthylenes for the treatment of non-insulin dependent diabetes mellitus INSR, GPR119, SLC5A1 PPARA 491/4885GSK3B 1454/4885ADRB2 872/4885

“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.