SCHEMBL4193385

SCHEMBL4193385

COc1ccc(C#N)cc1S(=O)(=O)Nc1ccccc1C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
ALPL P05186 2/20 0.54
ACLY P53396 3/20 0.49
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HSD17B10 Q99714 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TSHR P16473 2/20 0.48
NPC1 O15118 1/20 0.48
FABP4 P15090 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
MRGPRX1 Q96LB2 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL4193378 0.84 SMN1; SMN2 (0.65) MEN1KMT2AACLYALDH1A1SMN1; SMN2
SCHEMBL4193392 0.84 ALPL (0.58) MEN1KMT2AALPLACLYALDH1A1
SCHEMBL4188206 0.83 KMT2A (0.61) MEN1KMT2AALPLACLYALDH1A1
SCHEMBL4192995 0.80 MEN1 (0.57) MEN1KMT2AALPLALDH1A1SMN1; SMN2
SCHEMBL4192503 0.79 MEN1 (0.56) MEN1KMT2AACLYALDH1A1SMN1; SMN2
SCHEMBL4188171 0.78 MEN1 (0.58) MEN1KMT2AACLYALDH1A1SMN1; SMN2
SCHEMBL4188882 0.78 MEN1 (0.55) MEN1KMT2AACLYALDH1A1SMN1; SMN2
SCHEMBL4183319 0.77 MEN1 (0.53) MEN1KMT2AALPLACLYALDH1A1
SCHEMBL4190380 0.75 KMT2A (0.52) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL4188842 0.75 SMN1; SMN2 (0.58) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10

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-7582673-B2 Benzo[b]thiophene-2-sulfonic acid [2-(2-chloro-5-trifluoromethylbenzenesulfonylamino)phenyl] amide; agonists of GalR1; useful in treating neuropathic pain or cancer HIGH POINT PHARMACEUTICALS, LLC (US) 2009-09-01 US claimed
US-20060106089-A1 Bissulfonamide compounds as agonists of GalR1, compositions, and methods of use VTVX HOLDINGS II LLC 2006-05-18 US claimed
US-20090247536-A1 Bissulfonamide Compounds As Agonists Of GalR1, Compositions, And Methods Of Use MJALLI ADNAN M M 2009-10-01 US disclosed
US-7582673-B2 Benzo[b]thiophene-2-sulfonic acid [2-(2-chloro-5-trifluoromethylbenzenesulfonylamino)phenyl] amide; agonists of GalR1; useful in treating neuropathic pain or cancer HIGH POINT PHARMACEUTICALS, LLC (US) 2009-09-01 US disclosed
EP-1809619-A1 BISSULFONAMIDE COMPOUNDS AS AGONISTS OF GALR1, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2007-07-25 EP disclosed
US-20060106089-A1 Bissulfonamide compounds as agonists of GalR1, compositions, and methods of use VTVX HOLDINGS II LLC 2006-05-18 US disclosed
WO-2006047302-A1 BISSULFONAMIDE COMPOUNDS AS AGONISTS OF GALR1, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2006-05-04 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 (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-20060106089-A1 Bissulfonamide compounds as agonists of GalR1, compositions, and methods of use GALR1, GALR3, GALR2 MEN1 751/4885KMT2A 2542/4885ALPL 4569/4885
US-20090247536-A1 Bissulfonamide Compounds As Agonists Of GalR1, Compositions, And Methods Of Use GALR1, GALR3, GALR2 MEN1 751/4885KMT2A 2542/4885ALPL 4569/4885

“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.