SCHEMBL103852

SCHEMBL103852

Cc1noc(C)c1S(=O)(=O)N(C)CCC#Cc1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.44
TSHR P16473 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PKM P14618 1/20 0.36
NR3C1 P04150 1/20 0.35
NR3C2 P08235 1/20 0.35
ATM Q13315 1/20 0.35
NPY5R Q15761 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL104065 0.75 HSD17B10 (0.43) ALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL103761 0.75 SMN1; SMN2 (0.61) TSHRALDH1A1MAPTKMT2ALMNA
SCHEMBL103231 0.65 FFAR1 (0.43) TSHRMEN1KMT2A
SCHEMBL103790 0.65 KMT2A (0.46) TSHRKMT2A
SCHEMBL102697 0.65 CDK4 (0.42) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL408472 0.64 GRM5 (0.49)
SCHEMBL103437 0.63 GRM5 (0.44) ALDH1A1
SCHEMBL14309147 0.63 GAA (0.50) GAATSHRL3MBTL1ALDH1A1MAPT
SCHEMBL102721 0.63 LTB4R (0.45) MEN1KMT2APOLB
SCHEMBL103422 0.62 CDK4 (0.45) ALDH1A1MEN1KMT2ALMNASMN1; 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2009-05-14 US claimed
US-8883826-B2 Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2014-11-11 US disclosed
US-8674106-B2 Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2014-03-18 US disclosed
US-20130178631-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2013-07-11 US disclosed
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2012-11-01 US disclosed
EP-2426115-A2 Alkynyl derivatives as modulators of metabotropic glutamate receptors Addex Pharma SA (CH) 2012-03-07 EP disclosed
US-8101637-B2 Alkynyl derivatives as modulators of metatropic glutamate receptors ADDEX PHARMA SA (CH) 2012-01-24 US disclosed
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2009-05-14 US disclosed
EP-1765795-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharmaceuticals SA (CH) 2007-03-28 EP disclosed
WO-2005123703-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2005-12-29 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 (3 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-20130178631-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 GAA 2330/4885TSHR 465/4885L3MBTL1 3907/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 GAA 2249/4885TSHR 454/4885L3MBTL1 4070/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 GAA 2330/4885TSHR 465/4885L3MBTL1 3907/4885

“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.