SCHEMBL4183289

SCHEMBL4183289

COc1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.60
TSHR P16473 1/20 0.60
CCR1 P32246 2/20 0.57
CCR2 P41597 2/20 0.57
ALPL P05186 2/20 0.54
LMNA P02545 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM1A O60341 1/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.50
WDR5 P61964 1/20 0.50
ALDH1A1 P00352 4/20 0.49
MAPT P10636 1/20 0.49
PTGES2 Q9H7Z7 1/20 0.49
TP53 P04637 1/20 0.49
CCR9 P51686 1/20 0.48

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
SCHEMBL4190508 0.85 MCL1 (0.67) CCR1CCR2LMNAMEN1KMT2A
SCHEMBL4190669 0.84 NPC1 (0.65) NPC1TSHRCCR2LMNAMEN1
SCHEMBL4192999 0.81 ALPL (0.58) NPC1TSHRALPLMEN1KMT2A
SCHEMBL18341387 0.81 MCL1 (0.60) NPC1TSHRALPLLMNAMEN1
SCHEMBL7594909 0.80 NPC1 (0.89) NPC1TSHRALPLLMNAMEN1
SCHEMBL4188199 0.80 HPGD (0.66) NPC1TSHRLMNAMEN1KMT2A
SCHEMBL8268780 0.79 NPC1 (0.59) NPC1TSHRLMNAMEN1KMT2A
SCHEMBL7570431 0.78 POLB (0.61) LMNAMEN1KMT2AALOX15MAPK1
SCHEMBL4192995 0.78 MEN1 (0.57) NPC1TSHRALPLMEN1KMT2A
SCHEMBL13658327 0.77 ALPL (0.55) NPC1TSHRCCR2ALPLMEN1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1809619-A1 BISSULFONAMIDE COMPOUNDS AS AGONISTS OF GALR1, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2007-07-25 EP claimed
US-20060106089-A1 Bissulfonamide compounds as agonists of GalR1, compositions, and methods of use VTVX HOLDINGS II LLC 2006-05-18 US claimed
WO-2006047302-A1 BISSULFONAMIDE COMPOUNDS AS AGONISTS OF GALR1, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2006-05-04 WO 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-20090247536-A1 Bissulfonamide Compounds As Agonists Of GalR1, Compositions, And Methods Of Use MJALLI ADNAN M M 2009-10-01 US disclosed
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
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
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
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 NPC1 4565/4885TSHR 156/4885CCR1 1238/4885
US-20090247536-A1 Bissulfonamide Compounds As Agonists Of GalR1, Compositions, And Methods Of Use GALR1, GALR3, GALR2 NPC1 4565/4885TSHR 156/4885CCR1 1238/4885

“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.