SCHEMBL3175015

SCHEMBL3175015

CCCc1c(OCc2ccccc2Sc2ccc(-c3nn[nH]n3)cc2)ccc(C(C)=O)c1O

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 11/20 0.71
CYSLTR2 Q9NS75 6/20 0.71
GRM2 Q14416 14/20 0.64

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
SCHEMBL3164517 0.91 GRM2 (0.64) CYSLTR1CYSLTR2GRM2
SCHEMBL3157609 0.87 CYSLTR1 (0.89) CYSLTR1CYSLTR2GRM2
SCHEMBL3168228 0.85 CYSLTR1 (0.71) CYSLTR1CYSLTR2GRM2
SCHEMBL3172116 0.81 CYSLTR1 (0.75) CYSLTR1CYSLTR2GRM2
SCHEMBL3174212 0.80 PPARG (0.45) CYSLTR1CYSLTR2GRM2
SCHEMBL3174993 0.80 GRM2 (0.68) CYSLTR1CYSLTR2GRM2
SCHEMBL8337474 0.79 GRM2 (0.94) CYSLTR1CYSLTR2GRM2
SCHEMBL3166581 0.79 GRM2 (0.73) CYSLTR1CYSLTR2GRM2
SCHEMBL9643108 0.78 GRM2 (0.80) CYSLTR1CYSLTR2GRM2
SCHEMBL29466707 0.78 GRM2 (1.00) CYSLTR1CYSLTR2GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858646-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2010-12-28 US disclosed
EP-1817300-B1 POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2010-03-17 EP 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

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-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 CYSLTR1 260/4885CYSLTR2 133/4885GRM2 406/4885

“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.