SCHEMBL2592449

SCHEMBL2592449

Cc1nc(NC(=O)c2ccccn2)sc1SCc1ccc(F)cc1F

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 16/20 0.67
HTT P42858 4/20 0.53
MAPT P10636 3/20 0.53
OPRK1 P41145 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 2/20 0.53
AGTR1 P30556 2/20 0.53
RAB9A P51151 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
POLB P06746 1/20 0.53
PKM P14618 1/20 0.53
LMNA P02545 3/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
KMT2A Q03164 1/20 0.53
KDM4E B2RXH2 1/20 0.49
HSP90AA1 P07900 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
SCHEMBL2594309 0.91 GRM4 (0.69) GRM4
SCHEMBL2591002 0.90 GRM4 (0.64) GRM4
SCHEMBL2591744 0.84 GRM4 (0.64) GRM4
SCHEMBL2588084 0.83 GRM4 (0.68) GRM4
SCHEMBL2593900 0.83 GRM4 (0.64) GRM4HTTMAPTOPRK1NPC1
SCHEMBL2591102 0.81 GRM4 (0.83) GRM4HTTMAPTOPRK1SMN1; SMN2
SCHEMBL12182155 0.80 GRM4 (1.00) GRM4
SCHEMBL2593424 0.77 GRM4 (0.66) GRM4HTTMAPTOPRK1SMN1; SMN2
SCHEMBL15045090 0.76 GRM4 (0.80) GRM4HTTMAPTOPRK1SMN1; SMN2
SCHEMBL2593433 0.75 GRM4 (0.67) GRM4HTTMAPTOPRK1SMN1; SMN2

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-9192603-B2 Heterocyclic sulfone mGluR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction VANDERBILT UNIVERSITY (US) 2015-11-24 US disclosed
US-20130158078-A1 Heterocyclic Sulfone MGLUR4 Allosteric Potentiators, Compositions, and Methods of Treating Neurological Dysfunction VANDERBILT UNIVERSITY (US) 2013-06-20 US disclosed
EP-2568809-A1 HETEROCYCLIC SULFONE MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION Vanderbilt University (US) 2013-03-20 EP disclosed
WO-2011143466-A1 HETEROCYCLIC SULFONE MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION VANDERBILT UNIVERSITY (US) 2011-11-17 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-20130158078-A1 Heterocyclic Sulfone MGLUR4 Allosteric Potentiators, Compositions, and Methods of Treating Neurological Dysfunction GRM4, GRIK4, GRIA4 GRM4 1/4885HTT 229/4885MAPT 1372/4885

“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.