SCHEMBL1751600

SCHEMBL1751600

CN(Cc1cccc(-c2ccc(CC3SC(=O)NC3=O)s2)c1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.51
HSD17B2 P37059 10/20 0.43
HSD17B1 P14061 7/20 0.43
AOC3 Q16853 2/20 0.39
PPARG P37231 2/20 0.39
MAOA P21397 1/20 0.39
CISD1 Q9NZ45 1/20 0.39

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
SCHEMBL1750799 0.88 FFAR1 (0.49) FFAR1HSD17B2HSD17B1PPARG
SCHEMBL1750394 0.86 FFAR1 (0.46) FFAR1HSD17B2HSD17B1AOC3MAOA
SCHEMBL1750510 0.85 FFAR1 (0.45) FFAR1HSD17B2HSD17B1AOC3
SCHEMBL5399580 0.83 FFAR1 (0.61) FFAR1AOC3PPARGMAOACISD1
SCHEMBL5167756 0.83 FFAR1 (0.55) FFAR1HSD17B2HSD17B1PPARGMAOA
SCHEMBL1750802 0.83 FFAR1 (0.48) FFAR1PPARGMAOACISD1
SCHEMBL1749935 0.81 FFAR1 (0.54) FFAR1PPARGMAOACISD1
SCHEMBL5167615 0.81 FFAR1 (0.51) FFAR1PPARGMAOACISD1
SCHEMBL6183019 0.80 FFAR1 (0.47) FFAR1AOC3PPARGMAOACISD1
SCHEMBL1751602 0.80 FFAR1 (0.51) FFAR1PPARGMAOACISD1

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-8022079-B2 Methods of modulating PPAR gamma-type receptors GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-09-20 US disclosed
EP-1638964-B1 NOVEL COMPOUNDS THAT MODULATE PPAR-GAMMA TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2011-07-27 EP disclosed
US-7968560-B2 Compounds that modulate PPARγ-type receptors and cosmetic/pharmaceutical compositions comprising said compounds GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-06-28 US disclosed
US-20100247468-A1 Compounds that modulate PPAR gamma-type receptors and cosmetic/pharmaceutical compositions comprising said compounds GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-09-30 US disclosed
US-20100099689-A1 METHODS OF MODULATING PPAR GAMMA-TYPE RECEPTORS GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-04-22 US disclosed
US-7625914-B2 Compounds that modulate PPARγ type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-12-01 US disclosed
US-20060148862-A1 Novel compounds that modulate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-07-06 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 (3 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-20100099689-A1 METHODS OF MODULATING PPAR GAMMA-TYPE RECEPTORS PPARG, PPARA, PPARD FFAR1 5/4885HSD17B2 552/4885HSD17B1 426/4885
US-20060148862-A1 Novel compounds that modulate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARD, PPARA FFAR1 4/4885HSD17B2 765/4885HSD17B1 588/4885
US-20100247468-A1 Compounds that modulate PPAR gamma-type receptors and cosmetic/pharmaceutical compositions comprising said compounds PPARG, PPARD, PPARA FFAR1 4/4885HSD17B2 663/4885HSD17B1 509/4885

“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.