SCHEMBL4192995

SCHEMBL4192995

COc1ccc(C(F)(F)F)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
ERAP1 Q9NZ08 4/20 0.50
ERAP2 Q6P179 2/20 0.50
FABP4 P15090 1/20 0.50
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.49
TRIM24 O15164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GAA P10253 1/20 0.48
NPC1 O15118 1/20 0.48
TSHR P16473 1/20 0.48
MAPK8 P45983 1/20 0.48
MAPK10 P53779 1/20 0.48
TDP1 Q9NUW8 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
SCHEMBL4183319 0.89 MEN1 (0.53) MEN1KMT2AALPLFABP4ALDH1A1
SCHEMBL4188882 0.85 MEN1 (0.55) MEN1KMT2AFABP4ALDH1A1MAPT
SCHEMBL4193378 0.84 SMN1; SMN2 (0.65) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL4192999 0.84 ALPL (0.58) MEN1KMT2AALPLERAP1ERAP2
SCHEMBL4192981 0.83 MCL1 (0.60) MEN1KMT2AERAP1ALDH1A1GAA
SCHEMBL4188206 0.83 KMT2A (0.61) MEN1KMT2AALPLFABP4ALDH1A1
SCHEMBL4193385 0.80 MEN1 (0.57) MEN1KMT2AALPLFABP4ALDH1A1
SCHEMBL4192503 0.79 MEN1 (0.56) MEN1KMT2AFABP4ALDH1A1MAPT
SCHEMBL4188171 0.78 MEN1 (0.58) MEN1KMT2AFABP4ALDH1A1MAPT
SCHEMBL4183289 0.78 NPC1 (0.60) MEN1KMT2AALPLALDH1A1MAPT

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.