SCHEMBL3681587

SCHEMBL3681587

CCOC(=O)COc1ccc(SC(CC)CNCc2ccc(OC)cc2)cc1C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 6/20 0.42
ESR1 P03372 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL13508291 1.00 PPARD (0.42) PPARDESR1MAPTKMT2AL3MBTL1
Trifluoroacetic Acid SCHEMBL3682937 0.94 PPARD (0.44) PPARDPPARA
SCHEMBL3682941 0.80 EPHX2 (0.35) PPARDKMT2AMEN1ALDH1A1PPARG
SCHEMBL13508352 0.74 PPARD (0.45) PPARDESR1ALDH1A1POLBSMN1; SMN2
SCHEMBL3686617 0.74 PPARD (0.45) PPARDESR1ALDH1A1POLBSMN1; SMN2
SCHEMBL13508351 0.74 ALDH1A1 (0.47) PPARDALDH1A1
SCHEMBL3680749 0.74 ALDH1A1 (0.47) PPARDALDH1A1
SCHEMBL12093638 0.73 ALDH1A1 (0.56) PPARDESR1MAPTKMT2AL3MBTL1
SCHEMBL13508362 0.73 ALDH1A1 (0.38) PPARDMAPTALDH1A1LMNAKDM4E
SCHEMBL2349409 0.71 PPARD (0.78) PPARDALDH1A1

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 5 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
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 PPARD 1/4885ESR1 1864/4885MAPT 3428/4885

“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.