SCHEMBL481132

SCHEMBL481132

CCCc1c(OC(=S)N(C)C)ccc(C(C)=O)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.50
PPARD Q03181 2/20 0.50
PPARA Q07869 2/20 0.50
LMNA P02545 2/20 0.50
GRM2 Q14416 2/20 0.50
CYP1A2 P05177 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
NFKB1 P19838 1/20 0.50
BLM P54132 1/20 0.50
CYSLTR2 Q9NS75 16/20 0.49
CYSLTR1 Q9Y271 16/20 0.49
MEN1 O00255 1/20 0.47
GLA P06280 1/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX5 P09917 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47

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
SCHEMBL30365671 1.00 PPARG (0.50) PPARGPPARDPPARALMNAGRM2
SCHEMBL10814683 0.86 NCEH1 (0.41) PPARGPPARDPPARALMNAGRM2
SCHEMBL6931576 0.79 PPARG (0.43) PPARGPPARDPPARALMNAGRM2
SCHEMBL10378288 0.79 PPARG (0.58) PPARGPPARDPPARALMNAGRM2
SCHEMBL8281875 0.78 CYSLTR2 (0.66) PPARGPPARDPPARALMNAGRM2
SCHEMBL11429432 0.78 PPARG (0.50) PPARGPPARDPPARALMNAGRM2
SCHEMBL10378286 0.77 PPARG (0.56) PPARGPPARDPPARALMNAGRM2
SCHEMBL11279092 0.76 PPARG (0.69) PPARGPPARDPPARALMNAGRM2
SCHEMBL6247680 0.75 PPARG (0.75) PPARGPPARDPPARALMNAGRM2
SCHEMBL10742429 0.75 CYSLTR2 (0.66) PPARGPPARDPPARALMNAGRM2

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2441762-A1 Potentiators of Glutamate Receptors Eli Lilly and Company (US) 2012-04-18 EP disclosed
EP-1817301-B1 POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2012-02-01 EP disclosed
US-8026282-B2 Phenoxyalkylcarboxylic acid derivatives in the treatment of irritable bowel syndrome MEDICINOVA, INC. (US) 2011-09-27 US disclosed
US-8026282-B2 Phenoxyalkylcarboxylic acid derivatives in the treatment of irritable bowel syndrome MEDICINOVA, INC. (US) 2011-09-27 US disclosed
US-7858646-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2010-12-28 US disclosed
US-20100285074-A1 PHENOXYALKYLCARBOXYLIC ACID DERIVATIVES IN THE TREATMENT OF IRRITABLE BOWEL SYNDROME MEDICINOVA, INC. 2010-11-11 US disclosed
US-20100285074-A1 PHENOXYALKYLCARBOXYLIC ACID DERIVATIVES IN THE TREATMENT OF IRRITABLE BOWEL SYNDROME MEDICINOVA, INC. 2010-11-11 US disclosed
US-7816523-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2010-10-19 US disclosed
US-7803938-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2010-09-28 US disclosed
US-7786169-B2 Phenoxyalkycarboxylic acid derivatives in the treatment of ulcerative colitis MEDICINOVA, INC. (US) 2010-08-31 US disclosed
US-20080096930-A1 1-(2-hydroxy-3-methyl-4-{4-[4-(1H-tetrazol-5-yl)-pyridin-2-yloxy]-benzyloxy}-phenyl)-ethanone; 6-(3-((4-acetyl-3-hydroxy-2-propylphenoxy)methyl)phenylthio)isonicotinic acid; 1-(2-hydroxy-4-{3-[4-(2H-tetrazol-5-yl)-pyridin-2-yloxy]-benzyloxy}-3-trifluoromethyl-phenyl)-ethanone; treatment of migriane ARRAY BIOPHARMA, INC. 2008-04-24 US disclosed
US-20080004321-A1 3-{[4-(4-acetyl-3-hydroxy-2-propylphenoxymethyl)-phenyl]-(S)-hydroxymethyl}-benzoic acid; anxiolytic, neuroleptic agent and antidepressant as glutamate receptor agonist; antiinflammatory agent as leukotriene receptor agonist; ELI LILLY AND COMPANY 2008-01-03 US disclosed
EP-1817301-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2007-08-15 EP disclosed
EP-1817300-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2007-08-15 EP disclosed
EP-1817296-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2007-08-15 EP disclosed
WO-2006057860-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2006-06-01 WO disclosed
WO-2006057869-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2006-06-01 WO disclosed
WO-2006057870-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2006-06-01 WO disclosed
WO-2005105073-A1 PHENOXYALKYCARBOXYLIC ACID DERIVATIVES IN THE TREATMENT OF INFLAMMATORY DISEASES MEDICINOVA, INC. (US) 2005-11-10 WO disclosed
US-4228173-A Thiopyrano-benzopyrans, compositions and method of use thereof FISONS LIMITED (GB) 1980-10-14 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-20100285074-A1 PHENOXYALKYLCARBOXYLIC ACID DERIVATIVES IN THE TREATMENT OF IRRITABLE BOWEL SYNDROME SI, SLC10A2, HCAR2 PPARG 1367/4885PPARD 1744/4885PPARA 1199/4885
US-20080096930-A1 1-(2-hydroxy-3-methyl-4-{4-[4-(1H-tetrazol-5-yl)-pyridin-2-yloxy]-benzyloxy}-phenyl)-ethanone; 6-(3-((4-acetyl-3-hydroxy-2-propylphenoxy)methyl)phenylthio)isonicotinic acid; 1-(2-hydroxy-4-{3-[4-(2H-tetrazol-5-yl)-pyridin-2-yloxy]-benzyloxy}-3-trifluoromethyl-phenyl)-ethanone; treatment of migriane HTR7, UGT2B7, HK1 PPARG 228/4885PPARD 660/4885PPARA 853/4885
US-20080004321-A1 3-{[4-(4-acetyl-3-hydroxy-2-propylphenoxymethyl)-phenyl]-(S)-hydroxymethyl}-benzoic acid; anxiolytic, neuroleptic agent and antidepressant as glutamate receptor agonist; antiinflammatory agent as leukotriene receptor agonist; LTB4R, LTB4R2, CYSLTR1 PPARG 108/4885PPARD 240/4885PPARA 154/4885

“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.