SCHEMBL6488115

SCHEMBL6488115

O=S(=O)(Nc1ccc2c(OCc3csc(-c4ccc(C(F)(F)F)cn4)n3)cccc2c1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
KIF11 P52732 1/20 0.38
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
EPHA2 P29317 1/20 0.36
KDR P35968 1/20 0.36
EPHB4 P54760 1/20 0.36
CPT2 P23786 1/20 0.35
CPT1A P50416 1/20 0.35

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
SCHEMBL6526673 0.89 EGFR (0.46) CYSLTR2CYSLTR1EGFRERBB2EPHA2
SCHEMBL6476503 0.84 CYSLTR2 (0.48) CYSLTR2CYSLTR1
SCHEMBL6475810 0.84 CYSLTR2 (0.42) CYSLTR2CYSLTR1IDO1TDO2EGFR
SCHEMBL6485303 0.84 CYSLTR2 (0.45) CYSLTR2CYSLTR1EGFRERBB2EPHA2
SCHEMBL6485372 0.82 CYSLTR2 (0.44) CYSLTR2CYSLTR1
SCHEMBL6484833 0.82 CYSLTR2 (0.46) CYSLTR2CYSLTR1EGFRERBB2EPHA2
SCHEMBL6487034 0.82 SCN9A (0.45) CYSLTR2CYSLTR1EGFRERBB2EPHA2
SCHEMBL6477804 0.82 CYSLTR2 (0.42) CYSLTR2CYSLTR1IDO1TDO2EGFR
SCHEMBL6474761 0.81 CYSLTR2 (0.39) CYSLTR2CYSLTR1KIF11CPT2CPT1A
SCHEMBL6485920 0.81 SHMT2 (0.44) CYSLTR2CYSLTR1EGFRERBB2EPHA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030216442-A1 Substituted naphthylenes for the treatment of non-insulin dependent diabetes mellitus WYETH 2003-11-20 US claimed
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 CYSLTR2 4879/4885CYSLTR1 4791/4885KIF11 4133/4885

“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.