SCHEMBL4192999

SCHEMBL4192999

COc1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1ccccc1N

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.58
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
TSHR P16473 2/20 0.52
NPC1 O15118 1/20 0.52
MCL1 Q07820 2/20 0.49
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
ERAP1 Q9NZ08 4/20 0.48
ERAP2 Q6P179 2/20 0.48
SLC40A1 Q9NP59 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TRIM24 O15164 1/20 0.47

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
SCHEMBL4183325 0.89 TSHR (0.51) ALPLALDH1A1MAPTTSHRNPC1
SCHEMBL4192995 0.84 MEN1 (0.57) ALPLALDH1A1MAPTTSHRNPC1
SCHEMBL4188884 0.83 ALDH1A1 (0.51) ALPLALDH1A1MAPTTSHRNPC1
SCHEMBL4193381 0.82 SMN1; SMN2 (0.70) ALPLALDH1A1MAPTTSHRNPC1
SCHEMBL4183289 0.81 NPC1 (0.60) ALPLALDH1A1MAPTTSHRNPC1
SCHEMBL4188212 0.81 WDR5 (0.61) ALPLALDH1A1MAPTTSHRNPC1
SCHEMBL4192989 0.81 MCL1 (0.70) ALDH1A1MCL1ERAP1SLC40A1
SCHEMBL22636680 0.80 ERAP1 (0.68) ALPLALDH1A1ERAP1ERAP2TRIM24
SCHEMBL13658327 0.78 ALPL (0.55) ALPLALDH1A1MAPTTSHRNPC1
SCHEMBL4193392 0.78 ALPL (0.58) ALPLALDH1A1MAPTTSHRNPC1

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 4569/4885ALDH1A1 4001/4885MAPT 3730/4885
US-20090247536-A1 Bissulfonamide Compounds As Agonists Of GalR1, Compositions, And Methods Of Use GALR1, GALR3, GALR2 ALPL 4569/4885ALDH1A1 4001/4885MAPT 3730/4885

“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.