SCHEMBL1647468

SCHEMBL1647468

Nc1ccn(S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.56
HTR6 P50406 5/20 0.50
PARL Q9H300 1/20 0.44
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 0.43
TUBA1C Q9BQE3 1/20 0.43
TUBB6 Q9BUF5 1/20 0.43
TUBB2B Q9BVA1 1/20 0.43
TUBB1 Q9H4B7 1/20 0.43
HDAC6 Q9UBN7 1/20 0.41
MEN1 O00255 2/20 0.41

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
SCHEMBL28053766 0.78 PKM (0.57) PKMHTR6PARLTUBB4ATUBB
Benzene SCHEMBL28946135 0.78 PKM (0.36) PKMHTR6ALDH1A1LMNATSHR
SCHEMBL12569759 0.77 PKM (0.60) PKMHTR6PARLTUBB4ATUBB
SCHEMBL1076218 0.77 PKM (0.56) PKMHTR6PARLTUBB4ATUBB
SCHEMBL4614396 0.77 PKM (0.56) PKMHTR6PARLTUBB4ATUBB
SCHEMBL28195638 0.77 PKM (0.56) PKMHTR6PARLTUBB4ATUBB
SCHEMBL29588161 0.77 HTR6 (0.61) PKMHTR6PARLTUBB4ATUBB
SCHEMBL20773031 0.76 PKM (0.54) PKMHTR6PARLTUBB4ATUBB
SCHEMBL752816 0.74 CA1 (0.65) PKMHTR6PARLMEN1HTT
SCHEMBL6589513 0.74 PKM (0.53) PKMHTR6PARLTUBB4ATUBB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130338154-A1 MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION VANDERBILT UNIVERSITY (US) 2013-12-19 US disclosed
US-20130040944-A1 MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION VANDERBILT UNIVERSITY (US) 2013-02-14 US disclosed
CN-102665411-A MGLUR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction UNIV VANDERBILT 2012-09-12 CN disclosed
EP-2490529-A1 MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION Vanderbilt University (US) 2012-08-29 EP disclosed
CN-101107226-B Phenoxyacetic acid derivatives useful for treating respiratory diseases ASTRAZENECA AB 2012-01-18 CN disclosed
WO-2011050316-A1 MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION VANDERBILT UNIVERSITY (US) 2011-04-28 WO disclosed
CN-101107226-A Phenoxyacetic acid derivatives useful for treating respiratory diseases ASTRAZENECA AB (SE) 2008-01-16 CN 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-20130338154-A1 MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION GRM4, GRIK4, GRM1 PKM 1118/4885HTR6 211/4885PARL 389/4885
US-20130040944-A1 MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION GRM4, GRIK4, GRM1 PKM 1118/4885HTR6 211/4885PARL 389/4885

“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.