SCHEMBL3094772

SCHEMBL3094772

CCCc1c(S(=O)(=O)Cc2ccc(Cc3cccc(-c4nnn[nH]4)c3O)cc2)ccc(C(C)=O)c1O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 20/20 0.40
CYSLTR2 Q9NS75 17/20 0.40
GRM2 Q14416 3/20 0.36
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX5 P09917 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL480920 0.79 CYSLTR1 (0.36) CYSLTR1CYSLTR2GRM2MEN1LMNA
SCHEMBL10680195 0.70 GRM2 (0.51) CYSLTR1CYSLTR2GRM2MEN1LMNA
SCHEMBL480249 0.69 CYSLTR1 (0.43) CYSLTR1CYSLTR2GRM2
SCHEMBL13108327 0.68 GRM2 (0.51) CYSLTR1CYSLTR2GRM2
SCHEMBL3163576 0.67 CYSLTR1 (0.64) CYSLTR1CYSLTR2GRM2MEN1LMNA
SCHEMBL481323 0.67 CYSLTR1 (0.58) CYSLTR1CYSLTR2GRM2MEN1LMNA
SCHEMBL9173818 0.67 CYSLTR2 (0.70) CYSLTR1CYSLTR2GRM2
SCHEMBL9177556 0.66 CYSLTR2 (0.61) CYSLTR1CYSLTR2
SCHEMBL12993344 0.66 CYSLTR1 (0.54) CYSLTR1CYSLTR2GRM2MEN1LMNA
SCHEMBL9177534 0.66 CYSLTR2 (0.51) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816523-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2010-10-19 US disclosed
US-7803938-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2010-09-28 US disclosed
US-20090318481-A1 Potentiators Of Glutamate Receptors AICHER THOMAS DANIEL 2009-12-24 US disclosed
US-20090318483-A1 Potentiators Of Glutamate Receptors AICHER THOMAS DANIEL 2009-12-24 US disclosed
US-7598423-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2009-10-06 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 (2 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-20090318481-A1 Potentiators Of Glutamate Receptors GRIK1, GRIK2, GRIK4 CYSLTR1 144/4885CYSLTR2 252/4885GRM2 8/4885
US-20090318483-A1 Potentiators Of Glutamate Receptors GRIK1, GRIK2, GRIK4 CYSLTR1 144/4885CYSLTR2 252/4885GRM2 8/4885

“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.