SCHEMBL5481160

SCHEMBL5481160

CS(=O)(=O)OCc1cn(-c2cccc(Cl)c2)nn1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.61
RXRA P19793 8/20 0.53
GRIN1 Q05586 8/20 0.53
GRIN2B Q13224 8/20 0.53
MEN1 O00255 2/20 0.52
MAPT P10636 2/20 0.52
KMT2A Q03164 2/20 0.52
CA9 Q16790 3/20 0.52
CA12 O43570 2/20 0.52
CA2 P00918 2/20 0.49
CA5A P35218 1/20 0.49
CA1 P00915 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
DDX3X O00571 1/20 0.47
STS P08842 1/20 0.47
P2RX7 Q99572 1/20 0.47

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
SCHEMBL5711666 0.97 NOTUM (0.59) NOTUMRXRAGRIN1GRIN2BMEN1
SCHEMBL31049716 0.77 CA12 (0.47) NOTUMRXRAGRIN1GRIN2BKMT2A
SCHEMBL5484732 0.76 NOTUM (1.00) NOTUMMAPT
Hydrochloric Acid SCHEMBL23452017 0.75 NOTUM (0.71) NOTUMMEN1MAPTKMT2ACA9
SCHEMBL21792309 0.74 NOTUM (0.66) NOTUMRXRAGRIN1GRIN2B
SCHEMBL5481442 0.74 NOTUM (0.40) NOTUMMEN1MAPTKMT2ASTS
SCHEMBL2895781 0.74 PKM (0.39) NOTUMMEN1MAPTKMT2ASTS
SCHEMBL5116625 0.73 NOTUM (0.47) NOTUMRXRAGRIN1GRIN2BSTS
SCHEMBL21356860 0.72 NPC1 (0.47) KMT2ACA9CA12CA2CA1
SCHEMBL16271174 0.72 NOTUM (0.51) NOTUMCA9CA12CA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185178-A1 Triazole compounds and their use as metabotropic glutamate receptor antagonists AATRAZENECA AB (SE) 2007-08-09 US disclosed
EP-1720860-A1 TRIAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2006-11-15 EP disclosed
US-20060019997-A1 Triazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2006-01-26 US disclosed
WO-2005080379-A1 TRIAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (US) 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-20060019997-A1 Triazole compounds and their use as metabotropic glutamate receptor antagonists GRM3, GRIN3A, GRM1 NOTUM 4056/4885RXRA 341/4885GRIN1 8/4885
US-20070185178-A1 Triazole compounds and their use as metabotropic glutamate receptor antagonists GRM5, GRM3, GRIK5 NOTUM 4132/4885RXRA 432/4885GRIN1 14/4885

“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.