SCHEMBL2889439

SCHEMBL2889439

CC(OS(C)(=O)=O)c1nnn(-c2cccc(Cl)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.50
PKM P14618 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
STS P08842 1/20 0.34
NOTUM Q6P988 1/20 0.34
MPO P05164 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
SCHEMBL3113748 1.00 GRM5 (0.50) GRM5PKMSMN1; SMN2MEN1NPC1
SCHEMBL3103976 0.88 GRM5 (0.50) GRM5ALDH1A1LMNAGAAMAPT
SCHEMBL2889925 0.88 GRM5 (0.50) GRM5ALDH1A1LMNAGAAMAPT
SCHEMBL2894710 0.86 GRM5 (0.39) GRM5SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL2894869 0.86 GRM5 (0.39) GRM5SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL2893157 0.83 GRM5 (0.46) GRM5ALDH1A1MAPTNOTUM
SCHEMBL2896047 0.81 GRM5 (0.34) GRM5SMN1; SMN2MEN1KMT2A
SCHEMBL2893766 0.80 GRM5 (0.50) GRM5PKMSMN1; SMN2MEN1NPC1
SCHEMBL2893769 0.80 GRM5 (0.50) GRM5PKMSMN1; SMN2MEN1NPC1
SCHEMBL4051271 0.80 GRM5 (0.48) GRM5PKMSMN1; SMN2MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100273805-A1 SULPHIDE BRIDGED DERIVATIVES AS MODULATORS OF MGLUR5 733 ASTRAZENECA AB (SE) 2010-10-28 US claimed
WO-2010123451-A1 SULPHIDE BRIDGED DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2010-10-28 WO claimed
EP-1716125-B1 TETRAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONITS ASTRAZENECA AB (SE) 2013-06-19 EP disclosed
CN-1918137-B Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2012-08-01 CN disclosed
CN-101845023-A Tetrazole compound and as the application of metabotropic glutamate receptor antagonists NPS PHARMA INC 2010-09-29 CN disclosed
US-7691892-B2 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2010-04-06 US disclosed
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070197549-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-23 US disclosed
CN-1918137-A Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-02-21 CN disclosed
EP-1716125-A1 TETRAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONITS AstraZeneca AB (SE) 2006-11-02 EP disclosed
US-20060004021-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2006-01-05 US disclosed
WO-2005080356-A1 TETRAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONITS ASTRAZENECA AB (SE) 2005-09-01 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 (4 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-20060004021-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists GRM1, GRM3, GRM4 GRM5 10/4885PKM 1183/4885SMN1; SMN2 3080/4885
US-20100273805-A1 SULPHIDE BRIDGED DERIVATIVES AS MODULATORS OF MGLUR5 733 GRM5, GRM3, GRIK5 GRM5 1/4885PKM 2640/4885SMN1; SMN2 1071/4885
US-20070259860-A1 MGluR5 modulators V GRM5, GRIK5, GRM2 GRM5 1/4885PKM 1276/4885SMN1; SMN2 1249/4885
US-20070197549-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists GRM1, GRM3, GRM4 GRM5 10/4885PKM 1245/4885SMN1; SMN2 3127/4885

“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.