SCHEMBL3687183

SCHEMBL3687183

CCOC(=O)COc1ccc(SCCNCCCC(=O)OC(C)(C)C)cc1C

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.42
LTA4H P09960 2/20 0.39
PPARD Q03181 8/20 0.37
PPARA Q07869 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
KDM4E B2RXH2 2/20 0.36
VDR P11473 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL3680407 0.84 ESR1 (0.49) ESR1PPARDKMT2AMEN1KDM4E
Trifluoroacetic Acid SCHEMBL3694964 0.80 ESR1 (0.46) ESR1PPARDPPARA
SCHEMBL3587513 0.78 ESR1 (0.48) ESR1PPARDPPARAKMT2AMEN1
SCHEMBL3680656 0.76 ESR1 (0.49) ESR1PPARDKMT2AMEN1KDM4E
SCHEMBL3683445 0.75 ESR1 (0.48) ESR1PPARDKMT2AMEN1KDM4E
SCHEMBL13442122 0.75 ESR1 (0.48) ESR1PPARDPPARAKMT2AMEN1
SCHEMBL3687182 0.75 ESR1 (0.45) ESR1PPARDPPARAKMT2AMEN1
SCHEMBL3681632 0.75 ESR1 (0.50) ESR1PPARDKMT2AMEN1KDM4E
SCHEMBL3583564 0.75 ESR1 (0.50) ESR1PPARDPPARAKMT2AMEN1
SCHEMBL5182260 0.75 MAPK1 (0.42) ESR1KMT2AMEN1KDM4EALDH1A1

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 3 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

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 1864/4885LTA4H 2622/4885PPARD 1/4885

“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.