SCHEMBL2895840

SCHEMBL2895840

CCCc1c(OCc2ccc(S(=O)(=O)Nc3ccccc3C#N)cc2)ccc(C(C)=O)c1O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 11/20 0.48
CYSLTR2 Q9NS75 5/20 0.48
GRM2 Q14416 8/20 0.46
CTSD P07339 1/20 0.44
MAPT P10636 2/20 0.44
CYP2C9 P11712 2/20 0.44
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
PPARG P37231 2/20 0.41
PPARD Q03181 2/20 0.41
PPARA Q07869 2/20 0.41
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
NFKB1 P19838 1/20 0.40
BLM P54132 1/20 0.40

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
SCHEMBL2895915 0.91 CYSLTR1 (0.47) CYSLTR1CYSLTR2GRM2CTSDMAPT
SCHEMBL2887756 0.84 AR (0.51) CYSLTR1CYSLTR2GRM2CTSDMAPT
SCHEMBL2894203 0.83 CYSLTR1 (0.47) CYSLTR1CYSLTR2GRM2CTSDMAPT
SCHEMBL3163646 0.80 CYSLTR1 (0.59) CYSLTR1CYSLTR2GRM2CTSDMAPT
SCHEMBL3163317 0.80 CYSLTR1 (0.54) CYSLTR1CYSLTR2GRM2CTSDMAPT
SCHEMBL2895754 0.80 CYSLTR1 (0.67) CYSLTR1CYSLTR2GRM2TDP1LMNA
SCHEMBL2894083 0.79 CYSLTR1 (0.60) CYSLTR1CYSLTR2GRM2CTSDMAPT
SCHEMBL3175903 0.79 CYSLTR1 (0.51) CYSLTR1CYSLTR2GRM2CTSDMAPT
SCHEMBL13617511 0.79 CYSLTR1 (0.46) CYSLTR1CYSLTR2GRM2CTSDMAPT
SCHEMBL2887790 0.78 CYSLTR1 (0.52) CYSLTR1CYSLTR2GRM2CTSDMAPT

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 8 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
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

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 3/4885CYSLTR2 4/4885GRM2 15/4885

“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.