SCHEMBL3737700

SCHEMBL3737700

CCCCCCCc1nnc(S)n1C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.36
SPNS2 Q8IVW8 2/20 0.35
TLR7 Q9NYK1 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KCNH2 Q12809 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
CETP P11597 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.32
NPC1 O15118 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL11512287 1.00 HSD11B1 (0.36) HSD11B1SPNS2TLR7ALDH1A1KCNH2
SCHEMBL11510230 1.00 HSD11B1 (0.36) HSD11B1SPNS2TLR7ALDH1A1KCNH2
SCHEMBL8166391 1.00 HSD11B1 (0.36) HSD11B1SPNS2TLR7ALDH1A1KCNH2
SCHEMBL4388847 0.92 ALDH1A1 (0.41) HSD11B1ALDH1A1HRH3LMNA
SCHEMBL8173050 0.81 TSHR (0.35) HSD11B1SPNS2TLR7ALDH1A1KCNH2
SCHEMBL11510482 0.79 KDM4E (0.37) HSD11B1SPNS2ALDH1A1KCNH2CETP
SCHEMBL11805405 0.79 ALDH1A1 (0.49) SPNS2TLR7ALDH1A1KCNH2CETP
SCHEMBL8062006 0.79 ALDH1A1 (0.49) SPNS2TLR7ALDH1A1KCNH2CETP
SCHEMBL9677868 0.79 ALDH1A1 (0.49) SPNS2TLR7ALDH1A1KCNH2CETP
SCHEMBL9222262 0.79 ALDH1A1 (0.49) SPNS2TLR7ALDH1A1KCNH2CETP

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829588-B2 Modulators of the PPAR-type receptors and pharmaceutical/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-11-09 US disclosed
US-7829588-B2 Modulators of the PPAR-type receptors and pharmaceutical/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-11-09 US disclosed
US-7829588-B2 Modulators of the PPAR-type receptors and pharmaceutical/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-11-09 US disclosed
EP-1694669-B1 NOVEL COMPOUNDS WHICH ARE MODULATORS OF THE PPAR-TYPE RECEPTORS AND THEIR USE IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2007-04-11 EP disclosed
EP-1694669-B1 NOVEL COMPOUNDS WHICH ARE MODULATORS OF THE PPAR-TYPE RECEPTORS AND THEIR USE IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2007-04-11 EP disclosed
US-20070054907-A1 Peroxisome Proliferator-Activated Receptor (PPAR) receptor modulators such as Ethyl(4-{4-[5-(4-tert-butylphenyl)-4-methyl-4H-[1,2,4]-triazol-3-ylsulfanyl]-2-heptyloxybenzylamino}phenyl)acetate, used in dermatology, cardiovascular diseases, immunology and/or diseases linked to lipid metabolism GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-03-08 US disclosed
US-20070054907-A1 Peroxisome Proliferator-Activated Receptor (PPAR) receptor modulators such as Ethyl(4-{4-[5-(4-tert-butylphenyl)-4-methyl-4H-[1,2,4]-triazol-3-ylsulfanyl]-2-heptyloxybenzylamino}phenyl)acetate, used in dermatology, cardiovascular diseases, immunology and/or diseases linked to lipid metabolism GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-03-08 US disclosed
US-20070054907-A1 Peroxisome Proliferator-Activated Receptor (PPAR) receptor modulators such as Ethyl(4-{4-[5-(4-tert-butylphenyl)-4-methyl-4H-[1,2,4]-triazol-3-ylsulfanyl]-2-heptyloxybenzylamino}phenyl)acetate, used in dermatology, cardiovascular diseases, immunology and/or diseases linked to lipid metabolism GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-03-08 US disclosed
EP-1694669-A2 NOVEL COMPOUNDS WHICH ARE MODULATORS OF THE PPAR-TYPE RECEPTORS AND THEIR USE IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2006-08-30 EP disclosed
WO-2005058844-A2 NOVEL COMPOUNDS WHICH ARE MODULATORS OF THE PPAR-TYPE RECEPTORS AND THEIR USE IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-06-30 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-20070054907-A1 Peroxisome Proliferator-Activated Receptor (PPAR) receptor modulators such as Ethyl(4-{4-[5-(4-tert-butylphenyl)-4-methyl-4H-[1,2,4]-triazol-3-ylsulfanyl]-2-heptyloxybenzylamino}phenyl)acetate, used in dermatology, cardiovascular diseases, immunology and/or diseases linked to lipid metabolism PPARG, PPARA, PPARD HSD11B1 415/4885SPNS2 4266/4885TLR7 72/4885

“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.