SCHEMBL2894083

SCHEMBL2894083

CCCc1c(OCc2ccc(S(=O)(=O)Nc3ccc(C(=O)O)cc3)cc2)ccc(C(C)=O)c1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 9/20 0.60
GRM2 Q14416 7/20 0.60
CYSLTR2 Q9NS75 4/20 0.53
WDR5 P61964 1/20 0.48
CTSD P07339 1/20 0.47
FABP4 P15090 1/20 0.46
MAPT P10636 2/20 0.45
CYP2C9 P11712 2/20 0.45
PPARG P37231 2/20 0.45
PPARD Q03181 2/20 0.45
PPARA Q07869 2/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
NFKB1 P19838 1/20 0.45
BLM P54132 1/20 0.45
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PDE5A O76074 2/20 0.44

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
SCHEMBL2887790 0.92 CYSLTR1 (0.52) CYSLTR1GRM2CYSLTR2CTSDMAPT
SCHEMBL2888212 0.89 CYSLTR1 (0.55) CYSLTR1GRM2CYSLTR2WDR5CTSD
SCHEMBL2892301 0.89 CYSLTR1 (0.55) CYSLTR1GRM2CYSLTR2WDR5CTSD
SCHEMBL3172207 0.88 CYSLTR1 (0.66) CYSLTR1GRM2CYSLTR2CTSDMAPT
SCHEMBL2887756 0.87 AR (0.51) CYSLTR1GRM2CYSLTR2CTSDMAPT
SCHEMBL6247085 0.87 CYSLTR1 (0.74) CYSLTR1GRM2CYSLTR2CTSDMAPT
SCHEMBL480929 0.84 CYSLTR1 (0.70) CYSLTR1GRM2CYSLTR2CTSDMAPT
SCHEMBL2896273 0.84 CYSLTR1 (0.79) CYSLTR1GRM2CYSLTR2LMNATDP1
SCHEMBL2888610 0.84 CYSLTR1 (0.50) CYSLTR1GRM2CYSLTR2WDR5CTSD
SCHEMBL2896270 0.83 TCF4 (0.51) CYSLTR1GRM2CYSLTR2WDR5CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678794-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2010-03-16 US disclosed
US-7678794-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2010-03-16 US disclosed
US-7678794-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2010-03-16 US disclosed
EP-1817296-B1 POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2009-11-04 EP 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
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
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-1817296-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2007-08-15 EP disclosed
WO-2006057869-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2006-06-01 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-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 CYSLTR1 3/4885GRM2 15/4885CYSLTR2 4/4885

“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.