SCHEMBL2897342

SCHEMBL2897342

CCCc1c(OCc2cccc(NS(=O)(=O)c3cccc(-c4nn[nH]n4)c3)c2)ccc(C(C)=O)c1O

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 16/20 0.64
CYSLTR1 Q9Y271 12/20 0.64
CYSLTR2 Q9NS75 3/20 0.64
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
GLA P06280 1/20 0.49
CYP3A4 P08684 1/20 0.49
ALOX5 P09917 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL2888145 0.97 GRM2 (0.64) GRM2CYSLTR1CYSLTR2
SCHEMBL2888592 0.92 CYSLTR1 (0.70) GRM2CYSLTR1CYSLTR2MEN1LMNA
SCHEMBL2891691 0.92 CYSLTR1 (0.70) GRM2CYSLTR1CYSLTR2
SCHEMBL3172055 0.89 CYSLTR1 (0.70) GRM2CYSLTR1CYSLTR2MEN1LMNA
SCHEMBL3172825 0.89 CYSLTR1 (0.71) GRM2CYSLTR1CYSLTR2
SCHEMBL2896355 0.87 CYSLTR1 (0.69) GRM2CYSLTR1CYSLTR2
SCHEMBL3172443 0.86 CYSLTR1 (0.74) GRM2CYSLTR1CYSLTR2MEN1LMNA
SCHEMBL2888109 0.85 GRM2 (0.64) GRM2CYSLTR1CYSLTR2MEN1LMNA
SCHEMBL2896284 0.85 CYSLTR1 (0.68) GRM2CYSLTR1CYSLTR2
SCHEMBL3173210 0.85 CYSLTR1 (0.75) GRM2CYSLTR1CYSLTR2

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 GRM2 15/4885CYSLTR1 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.