SCHEMBL3685266

SCHEMBL3685266

FC(F)(F)c1csc2ccc(Cl)cc12

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.55
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
MAPT P10636 6/20 0.42
LMNA P02545 3/20 0.42
IDO1 P14902 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CA2 P00918 1/20 0.41
TP53 P04637 1/20 0.38
CYP17A1 P05093 1/20 0.36
TDO2 P48775 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
SCHEMBL13118080 0.81 CYP2A6 (0.59) CYP2A6KEAP1NFE2L2MAPTLMNA
SCHEMBL4153169 0.79 MAPT (0.42) MAPTLMNAIDO1CA2TP53
SCHEMBL13737283 0.78 CYP2A6 (0.50) CYP2A6MAPTCA2TP53CYP17A1
SCHEMBL18935935 0.78 CYP17A1 (0.36) CYP2A6CYP17A1
SCHEMBL7917778 0.76 CYP2A6 (0.62) CYP2A6KEAP1NFE2L2MAPTLMNA
SCHEMBL29017448 0.74 CYP2A6 (0.64) CYP2A6KEAP1NFE2L2MAPTLMNA
SCHEMBL30492726 0.72 CYP2A6 (0.45) CYP2A6MAPTSMN1; SMN2CA2TP53
SCHEMBL3682441 0.72 CYP2A6 (0.62) CYP2A6KEAP1NFE2L2MAPTLMNA
SCHEMBL9103428 0.72 CYP2A6 (0.45) CYP2A6MAPTSMN1; SMN2CA2TP53
SCHEMBL10411294 0.71 CYP2A6 (0.60) CYP2A6KEAP1NFE2L2MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7655641-B2 Sulfonamide derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2010-02-02 US disclosed
US-7655641-B2 Sulfonamide derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2010-02-02 US disclosed
US-7655641-B2 Sulfonamide derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2010-02-02 US disclosed
EP-1597248-B1 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS LILLY CO ELI (US) 2007-12-26 EP disclosed
EP-1597248-B1 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS LILLY CO ELI (US) 2007-12-26 EP disclosed
US-20060217433-A1 Sulfonamide derivatives as ppar modulators ELI LILLY AND COMPANY (US) 2006-09-28 US disclosed
EP-1597248-A2 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-11-23 EP disclosed
WO-2004073606-A2 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-09-02 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 (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-20060217433-A1 Sulfonamide derivatives as ppar modulators PPARD, PPARA, PPARG CYP2A6 345/4885KEAP1 2456/4885NFE2L2 883/4885

“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.