SCHEMBL101377

SCHEMBL101377

O=S(=O)(NCCC#Cc1ccccn1)c1ccccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
SLC40A1 Q9NP59 1/20 0.41
NFE2L2 Q16236 3/20 0.40
HSD17B10 Q99714 2/20 0.39
CYP3A4 P08684 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
FPR2 P25090 1/20 0.39
CYP2C19 P33261 1/20 0.39
MTOR P42345 1/20 0.39
CSNK1A1 P48729 1/20 0.39
MYLK Q15746 1/20 0.39
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 2/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL103838 0.81 CYP3A4 (0.38) POLBSLC40A1HSD17B10CYP3A4KDM4E
SCHEMBL104065 0.76 HSD17B10 (0.43) POLBNFE2L2HSD17B10CYP3A4KDM4E
SCHEMBL13189148 0.72 GSTO1 (0.55) POLBHSD17B10CYP3A4KDM4ECYP1A2
SCHEMBL103417 0.70 CHRNB2 (0.51) CYP1A2ALDH1A1
SCHEMBL9850210 0.69 CA12 (0.59) POLBHSD17B10CYP3A4KDM4ECYP1A2
SCHEMBL8377905 0.68 ALDH1A1 (0.50) HSD17B10CYP3A4KDM4ECYP1A2CYP2D6
Hydrochloric Acid SCHEMBL7402085 0.68 CYP3A4 (0.72) HSD17B10CYP3A4KDM4ECYP1A2CYP2D6
SCHEMBL4191652 0.68 KMT2A (0.54) POLBKDM4ETSHRALDH1A1KMT2A
SCHEMBL104758 0.67 GRM5 (0.44) CYP1A2
SCHEMBL21569857 0.66 TAAR1 (0.51) HSD17B10CYP3A4KDM4ECYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2426115-A2 Alkynyl derivatives as modulators of metabotropic glutamate receptors Addex Pharma SA (CH) 2012-03-07 EP claimed
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 POLB 4331/4885SLC40A1 1680/4885NFE2L2 3698/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 POLB 4543/4885SLC40A1 1845/4885NFE2L2 2767/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 POLB 4331/4885SLC40A1 1680/4885NFE2L2 3698/4885

“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.