SCHEMBL3684926

SCHEMBL3684926

CCCN(CCSc1ccc(OCC(=O)OCC)c(C)c1)S(=O)(=O)c1cccc(-c2ccc(OC)nc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.37
OXTR P30559 4/20 0.37
PTGES2 Q9H7Z7 1/20 0.36
ESR1 P03372 2/20 0.36
PIK3CA P42336 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
KDR P35968 2/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HDAC1 Q13547 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PTPN1 P18031 1/20 0.34

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
SCHEMBL3689558 0.92 LMNA (0.42) TSHRSMN1; SMN2LMNAMAPK1L3MBTL1
SCHEMBL3681862 0.84 ESR1 (0.42) SMN1; SMN2LMNAESR1MAPTALDH1A1
SCHEMBL3685218 0.83 ESR1 (0.39) TSHRSMN1; SMN2LMNAMAPK1L3MBTL1
SCHEMBL3686980 0.80 PPARD (0.46) TSHRSMN1; SMN2LMNAMAPK1L3MBTL1
SCHEMBL3683584 0.80 PPARD (0.41) TSHRLMNAESR1MAPTALDH1A1
SCHEMBL3687541 0.79 PPARD (0.42) TSHRSMN1; SMN2LMNAESR1MAPT
SCHEMBL3680414 0.78 MAPT (0.46) SMN1; SMN2LMNAMAPK1ESR1MAPT
SCHEMBL14338961 0.78 TSHR (0.32) TSHRESR1
SCHEMBL3684838 0.77 PPARD (0.46) ESR1
SCHEMBL3687322 0.76 PPARD (0.46) PTPN1

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-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
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 TSHR 1431/4885SMN1; SMN2 4132/4885LMNA 3056/4885

“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.