SCHEMBL2889477

SCHEMBL2889477

CS(=O)(=O)OCc1nnn(-c2cccc(I)c2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.36
MPO P05164 1/20 0.34
FAAH O00519 1/20 0.33
MGLL Q99685 1/20 0.33
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
S1PR4 O95977 1/20 0.32
ALDH1A1 P00352 1/20 0.32
S1PR1 P21453 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
IDO1 P14902 2/20 0.31
TP53 P04637 1/20 0.31
GRM5 P41594 3/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
CYP1A2 P05177 1/20 0.30

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
SCHEMBL5740508 0.88 HPGD (0.34) HPGDMPOFAAHMGLLLMNA
SCHEMBL2897428 0.86 MAPT (0.45) HPGDLMNAMAPTALDH1A1IDO1
SCHEMBL2895781 0.86 PKM (0.39) HPGDMPOLMNAMAPTALDH1A1
SCHEMBL2893419 0.82 GRM5 (0.46) MAPTALDH1A1HTTGRM5
SCHEMBL2896574 0.77 HPGD (0.43) HPGDMPOFAAHMGLLALDH1A1
SCHEMBL5739060 0.74 MAPT (0.43) HPGDLMNAMAPTALDH1A1IDO1
SCHEMBL5741959 0.74 PKM (0.38) HPGDLMNAMAPTALDH1A1RAB9A
SCHEMBL2894710 0.74 GRM5 (0.39) HPGDMPOFAAHMGLLLMNA
SCHEMBL5739267 0.74 HPGD (0.34) HPGDMPO
SCHEMBL2910592 0.73 HPGD (0.40) HPGDMPOFAAHMGLLALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716125-B1 TETRAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONITS ASTRAZENECA AB (SE) 2013-06-19 EP disclosed
US-7691892-B2 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2010-04-06 US disclosed
US-20070197549-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-23 US 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 (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-20060004021-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists GRM1, GRM3, GRM4 HPGD 3300/4885MPO 2407/4885FAAH 1900/4885
US-20070197549-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists GRM1, GRM3, GRM4 HPGD 3470/4885MPO 2449/4885FAAH 1858/4885

“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.