SCHEMBL481237

SCHEMBL481237

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.50
CYSLTR2 Q9NS75 15/20 0.48
CYSLTR1 Q9Y271 15/20 0.48
LMNA P02545 2/20 0.47
PPARG P37231 2/20 0.47
PPARD Q03181 2/20 0.47
PPARA Q07869 2/20 0.47
CYP1A2 P05177 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
NFKB1 P19838 1/20 0.47
BLM P54132 1/20 0.47
MEN1 O00255 1/20 0.46
GLA P06280 1/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX5 P09917 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46

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
SCHEMBL30736074 0.82 CYP1A2 (0.50) GRM2CYSLTR2CYSLTR1LMNAPPARG
SCHEMBL480388 0.82 CYP1A2 (0.50) GRM2CYSLTR2CYSLTR1LMNAPPARG
SCHEMBL10806255 0.81 GRM2 (0.38) GRM2CYSLTR2CYSLTR1LMNAPPARG
SCHEMBL13452821 0.81 PPARG (0.48) GRM2CYSLTR2CYSLTR1LMNAPPARG
SCHEMBL6932259 0.81 PPARG (0.48) GRM2CYSLTR2CYSLTR1LMNAPPARG
SCHEMBL6401236 0.80 PPARG (0.46) GRM2CYSLTR2CYSLTR1LMNAPPARG
SCHEMBL9174003 0.80 CYSLTR2 (0.49) GRM2CYSLTR2CYSLTR1LMNAPPARG
SCHEMBL481392 0.79 PPARG (0.47) GRM2CYSLTR2CYSLTR1LMNAPPARG
SCHEMBL481043 0.79 PPARG (0.45) GRM2CYSLTR2CYSLTR1LMNAPPARG
SCHEMBL9177662 0.78 CYSLTR2 (0.50) GRM2CYSLTR2CYSLTR1LMNAPPARG

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 54 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
EP-0056172-B1 PHENOXY- AND THIOPHENOXY COMPOUNDS, METHODS FOR THEIR PREPARATION AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM FISONS plc (GB) 1985-04-03 EP disclosed
EP-0068739-B1 SULPHUR-CONTAINING 5-HYDROXY-ALKANOIC ACID DERIVATIVES, THEIR USE AS PHARMACEUTICAL PREPARATIONS AND PROCESS FOR THEIR PRODUCTION Lilly Industries Limited (GB) 1984-11-14 EP disclosed
EP-0123543-A1 Leukotriene antagonists, their production and use and compositions containing them MERCK FROSST CANADA INC. (CA) 1984-10-31 EP disclosed
US-4474788-A Anti-SRSA quinoline carboxylic acid derivatives FISONS PLC (GB) 1984-10-02 US disclosed
US-4424231-A Compounds FISONS LIMITED (GB) 1984-01-03 US disclosed
EP-0079637-A1 Anti-srs-a carboxylic acid derivatives, processes for their production, and pharmaceutical formulation containing them FISONS plc (GB) 1983-05-25 EP disclosed
EP-0068739-A1 Sulphur-containing 5-hydroxy-alkanoic acid derivatives, their use as pharmaceutical preparations and process for their production Lilly Industries Limited (GB) 1983-01-05 EP disclosed
EP-0061800-A1 Anti SRS-A carboxylic acid derivatives, processes for their production and pharmaceutical formulations containing them FISONS plc (GB) 1982-10-06 EP disclosed
EP-0056172-A2 Phenoxy- and thiophenoxy compounds, methods for their preparation and pharmaceutical formulations containing them FISONS plc (GB) 1982-07-21 EP 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 (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-20100285074-A1 PHENOXYALKYLCARBOXYLIC ACID DERIVATIVES IN THE TREATMENT OF IRRITABLE BOWEL SYNDROME SI, SLC10A2, HCAR2 GRM2 233/4885CYSLTR2 78/4885CYSLTR1 157/4885

“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.