SCHEMBL2887756

SCHEMBL2887756

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.51
CYSLTR1 Q9Y271 8/20 0.49
CYSLTR2 Q9NS75 3/20 0.49
KDM1A O60341 1/20 0.47
GRM2 Q14416 7/20 0.47
CTSD P07339 1/20 0.46
PPARG P37231 2/20 0.44
PPARD Q03181 2/20 0.44
PPARA Q07869 2/20 0.44
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
NFKB1 P19838 1/20 0.43
BLM P54132 1/20 0.43
BRD4 O60885 1/20 0.43
PLA2G7 Q13093 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.41

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
SCHEMBL2894203 0.90 CYSLTR1 (0.47) ARCYSLTR1CYSLTR2GRM2CTSD
SCHEMBL2894123 0.90 CYSLTR1 (0.48) ARCYSLTR1CYSLTR2KDM1AGRM2
SCHEMBL3163317 0.89 CYSLTR1 (0.54) CYSLTR1CYSLTR2GRM2CTSDPPARG
SCHEMBL2894083 0.87 CYSLTR1 (0.60) CYSLTR1CYSLTR2GRM2CTSDPPARG
SCHEMBL2887790 0.86 CYSLTR1 (0.52) CYSLTR1CYSLTR2GRM2CTSDPPARG
SCHEMBL2891462 0.84 CYSLTR1 (0.54) CYSLTR1CYSLTR2GRM2CTSDPPARG
SCHEMBL2895840 0.84 CYSLTR1 (0.48) CYSLTR1CYSLTR2GRM2CTSDPPARG
SCHEMBL3171749 0.82 CYSLTR1 (0.55) CYSLTR1CYSLTR2GRM2CTSDPPARG
SCHEMBL2894456 0.82 CYSLTR1 (0.47) CYSLTR1CYSLTR2GRM2PPARGPPARD
SCHEMBL2891409 0.82 CYSLTR1 (0.47) CYSLTR1CYSLTR2GRM2CTSDPPARG

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 7 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

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 AR 948/4885CYSLTR1 3/4885CYSLTR2 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.