SCHEMBL1816952

SCHEMBL1816952

O=[N+]([O-])c1ccc(S(=O)(=O)Cc2ccccc2Cl)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.50
GRM4 Q14833 1/20 0.49
HSD11B1 P28845 1/20 0.48
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.44
AKR1B1 P15121 1/20 0.43
MAPT P10636 4/20 0.43
HTT P42858 3/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43
CA12 O43570 2/20 0.43
CA2 P00918 2/20 0.43

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
SCHEMBL5201891 0.79 HTT (0.43) TXNRD1GRM4HSD11B1KMT2AMEN1
SCHEMBL1818275 0.79 GRM4 (0.52) TXNRD1GRM4KMT2AMEN1ALDH1A1
SCHEMBL28043085 0.79 KMT2A (0.57) GRM4KMT2AMEN1ALDH1A1KDM4E
SCHEMBL20380076 0.77 HTT (0.64) TXNRD1HSD11B1KMT2AMEN1ALDH1A1
SCHEMBL6871123 0.76 POLB (0.53) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL4203451 0.76 HSD11B1 (0.59) HSD11B1KMT2AMEN1ALDH1A1MAPT
SCHEMBL27875088 0.74 MEN1 (0.57) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL31225036 0.74 CYP1A2 (0.58) TXNRD1KMT2AMEN1ALDH1A1MAPT
SCHEMBL30963162 0.74 CYP2C19 (0.56) TXNRD1GRM4KMT2AMEN1ALDH1A1
SCHEMBL28386327 0.73 LMNA (0.47) GRM4KMT2AALDH1A1KDM4EAKR1B1

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-8912336-B2 Aryl and heteroaryl sulfones as mGluR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction VANDERBILT UNIVERSITY (US) 2014-12-16 US disclosed
US-20120245185-A1 ARYL AND HETEROARYL SULFONES AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION VANDERBILT UNIVERSITY (US) 2012-09-27 US disclosed
EP-2498781-A2 ARYL AND HETEROARYL SULFONES AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION Vanderbilt University (US) 2012-09-19 EP disclosed
WO-2011057208-A2 ARYL AND HETEROARYL SULFONES AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION VANDERBILT UNIVERSITY (US) 2011-05-12 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-20120245185-A1 ARYL AND HETEROARYL SULFONES AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION GRM4, GRIK4, GRM2 TXNRD1 1478/4885GRM4 1/4885HSD11B1 2113/4885

“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.