SCHEMBL13040554

SCHEMBL13040554

Cn1c(S)nnc1Cc1cccs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
TDP1 Q9NUW8 1/20 0.52
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 2/20 0.41
ADORA2A P29274 2/20 0.41
ADORA2B P29275 2/20 0.41
ADORA1 P30542 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
APOBEC3G Q9HC16 1/20 0.40
HPGD P15428 2/20 0.39
GLA P06280 1/20 0.39
HTT P42858 1/20 0.39
HTR6 P50406 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 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
SCHEMBL17175743 0.76 ALDH1A1 (0.59) TSHRTDP1POLBHSD17B10ALDH1A1
SCHEMBL18260669 0.74 TDP1 (0.47) TSHRTDP1POLBALDH1A1LMNA
SCHEMBL14112929 0.73 PKM (0.45) TDP1POLBHSD17B10ALDH1A1LMNA
SCHEMBL5092171 0.71 HSD11B1 (0.49) TSHRTDP1POLBHSD17B10KDM4E
SCHEMBL10564079 0.69 TDP1 (0.50) TSHRTDP1POLBL3MBTL1ALDH1A1
SCHEMBL1234818 0.68 KDM4E (0.61) TSHRPOLBL3MBTL1HSD17B10ALDH1A1
SCHEMBL559559 0.67 TAAR1 (0.56) TSHRTDP1POLBL3MBTL1HSD17B10
SCHEMBL30520945 0.66 BACE1 (0.42) TDP1POLBADORA2AADORA1ALOX15
SCHEMBL20706617 0.65 TDP1 (0.45) TSHRTDP1POLBL3MBTL1HSD17B10
SCHEMBL1544047 0.64 KDM4E (0.56) TSHRL3MBTL1HSD17B10ALDH1A1KDM4E

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-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
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

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 TSHR 77/4885TDP1 1477/4885POLB 1588/4885

“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.