SCHEMBL2117044

SCHEMBL2117044

CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccn2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.71
HTT P42858 2/20 0.71
ALDH1A1 P00352 5/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
MAPT P10636 4/20 0.65
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
KDM4E B2RXH2 3/20 0.63
HPGD P15428 2/20 0.63
HSD17B10 Q99714 1/20 0.63
NR3C1 P04150 1/20 0.62
CNR2 P34972 1/20 0.55
KEAP1 Q14145 1/20 0.53
NFE2L2 Q16236 1/20 0.53
NAMPT P43490 1/20 0.52
TSHR P16473 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NPC1 O15118 1/20 0.51
TP53 P04637 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL2120000 0.83 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2MAPTKMT2AKDM4E
SCHEMBL2116993 0.82 ALDH1A1 (0.82) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL2117002 0.79 ALDH1A1 (0.82) ALDH1A1SMN1; SMN2MAPTKMT2AKDM4E
SCHEMBL2118378 0.79 ALDH1A1 (0.82) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL2121920 0.79 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2MAPTKDM4EHPGD
SCHEMBL2122260 0.76 ALDH1A1 (0.76) HTTALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL3455700 0.76 HTT (1.00) GAAHTTALDH1A1MAPTMEN1
SCHEMBL16557505 0.75 ALDH1A1 (0.61) HTTALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL301695 0.73 GAA (0.76) GAAHTTALDH1A1MAPTMEN1
SCHEMBL3299668 0.71 KDM4E (0.67) GAAHTTALDH1A1SMN1; SMN2MAPT

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-20120094964-A1 SULFAMOYL BENZOIC ACID DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2012-04-19 US disclosed
US-20120094964-A1 SULFAMOYL BENZOIC ACID DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2012-04-19 US disclosed
US-20120094964-A1 SULFAMOYL BENZOIC ACID DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2012-04-19 US disclosed
WO-2010125831-A1 SULFAMOYL BENZOIC ACID DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2010-11-04 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-20120094964-A1 SULFAMOYL BENZOIC ACID DERIVATIVES AS TRPM8 ANTAGONISTS TRPM8, TRPM5, TRPM6 GAA 1547/4885HTT 2818/4885ALDH1A1 1996/4885

“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.