SCHEMBL4193392

SCHEMBL4193392

COc1ccc(C#N)cc1S(=O)(=O)Nc1ccccc1N

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALPL P05186 5/20 0.58
TSHR P16473 2/20 0.52
NPC1 O15118 1/20 0.52
ACLY P53396 4/20 0.52
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
GAA P10253 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 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
SCHEMBL4193385 0.84 MEN1 (0.57) ALPLTSHRNPC1ACLYALDH1A1
SCHEMBL4193381 0.82 SMN1; SMN2 (0.70) ALPLTSHRNPC1ACLYALDH1A1
SCHEMBL4188212 0.81 WDR5 (0.61) ALPLTSHRNPC1ACLYALDH1A1
SCHEMBL22636844 0.80 ALPL (0.50) ALPLACLYALDH1A1SMN1; SMN2GAA
SCHEMBL8268174 0.78 ALPL (0.55) ALPLTSHRNPC1ACLYALDH1A1
SCHEMBL4192999 0.78 ALPL (0.58) ALPLTSHRNPC1ALDH1A1MAPT
SCHEMBL4192504 0.77 TSHR (0.51) ALPLTSHRNPC1ALDH1A1MAPT
SCHEMBL4188175 0.76 TSHR (0.50) ALPLTSHRNPC1ALDH1A1MAPT
SCHEMBL4188884 0.76 ALDH1A1 (0.51) ALPLTSHRNPC1ALDH1A1MAPT
SCHEMBL4183325 0.74 TSHR (0.51) ALPLTSHRNPC1ALDH1A1MAPT

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 ALPL 4569/4885TSHR 156/4885NPC1 4565/4885
US-20090247536-A1 Bissulfonamide Compounds As Agonists Of GalR1, Compositions, And Methods Of Use GALR1, GALR3, GALR2 ALPL 4569/4885TSHR 156/4885NPC1 4565/4885

“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.