SCHEMBL3687182

SCHEMBL3687182

CCCN(CCSc1ccc(OCC(=O)OCC)c(C)c1)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.45
PPARD Q03181 10/20 0.37
VDR P11473 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 1/20 0.36
PPARA Q07869 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL13509435 0.85 PPARD (0.33) PPARDVDRALDH1A1PPARAKDM4E
SCHEMBL13442122 0.76 ESR1 (0.48) ESR1PPARDALDH1A1PPARAKDM4E
SCHEMBL3681632 0.76 ESR1 (0.50) ESR1PPARDALDH1A1MAPK1KDM4E
SCHEMBL3583564 0.76 ESR1 (0.50) ESR1PPARDALDH1A1PPARAKDM4E
SCHEMBL3687183 0.75 ESR1 (0.42) ESR1PPARDVDRALDH1A1PPARA
SCHEMBL3680656 0.75 ESR1 (0.49) ESR1PPARDALDH1A1KDM4EMEN1
SCHEMBL4861312 0.74 ESR1 (0.52) ESR1VDRALDH1A1MAPK1KDM4E
SCHEMBL3680407 0.74 ESR1 (0.49) ESR1PPARDALDH1A1KDM4EMEN1
SCHEMBL5974797 0.74 ESR1 (0.55) ESR1PPARDVDRALDH1A1KDM4E
SCHEMBL3587513 0.74 ESR1 (0.48) ESR1PPARDALDH1A1PPARAKDM4E

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 4 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
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 ESR1 1864/4885PPARD 1/4885VDR 371/4885

“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.