SCHEMBL3686015

SCHEMBL3686015

CCCN(CCCc1ccc2c(ccn2C(C)(C)C(=O)O)c1)S(=O)(=O)c1sc2ccc(F)cc2c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 6/20 0.38
PER2 O15055 4/20 0.37
CRY1 Q16526 4/20 0.37
CRY2 Q49AN0 4/20 0.37
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PTGES2 Q9H7Z7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PPARG P37231 3/20 0.33
PPARA Q07869 3/20 0.33
OXER1 Q8TDS5 1/20 0.33
DHODH Q02127 1/20 0.32

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
SCHEMBL3690427 0.92 HTR6 (0.41) CMA1HTR6
SCHEMBL3689331 0.86 PER2 (0.36) CMA1PER2CRY1CRY2PPARG
SCHEMBL3688815 0.85 CMA1 (0.36) CMA1PER2CRY1CRY2OXER1
SCHEMBL3690033 0.80 PPARA (0.51) CMA1PPARGPPARAPPARD
SCHEMBL3689003 0.80 CMA1 (0.42) CMA1DHODH
SCHEMBL3682873 0.80 S1PR1 (0.36) PPARGOXER1PLA2G4A
SCHEMBL3689854 0.78 HTR6 (0.40) CMA1HTR6
SCHEMBL13508521 0.78 PPARA (0.50) CMA1PPARGPPARAPPARD
SCHEMBL3690480 0.77 HTR6 (0.39) CMA1HTR6
SCHEMBL3688486 0.77 KDM4E (0.35) CMA1KDM4EHPGDPPARGPPARA

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 6 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

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 CMA1 4529/4885PER2 782/4885CRY1 1905/4885

“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.