SCHEMBL4187686

SCHEMBL4187686

COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(F)cc1NS(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 6/20 0.63
MYC P01106 1/20 0.60
NPC1 O15118 1/20 0.52
TSHR P16473 1/20 0.52
ACLY P53396 3/20 0.51
LMNA P02545 1/20 0.49
CCR2 P41597 1/20 0.48
METAP2 P50579 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
SCHEMBL7587628 0.85 NPC1 (0.70) WDR5MYCNPC1TSHRACLY
SCHEMBL4192562 0.83 WDR5 (0.58) WDR5MYCACLY
SCHEMBL4190139 0.80 WDR5 (0.58) WDR5MYCACLY
SCHEMBL4197378 0.78 WDR5 (0.54) WDR5MYCACLY
SCHEMBL21761109 0.75 LMNA (0.73) ACLYLMNA
SCHEMBL22095987 0.75 SMN1; SMN2 (0.78) NPC1TSHRLMNA
SCHEMBL4190669 0.75 NPC1 (0.65) WDR5NPC1TSHRLMNACCR2
SCHEMBL4192352 0.75 NPC1 (0.58) NPC1TSHRACLY
SCHEMBL4183289 0.74 NPC1 (0.60) WDR5NPC1TSHRLMNACCR2
SCHEMBL329987 0.73 TP53 (0.73) WDR5MYCACLY

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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 WDR5 4553/4885MYC 2089/4885NPC1 4565/4885
US-20090247536-A1 Bissulfonamide Compounds As Agonists Of GalR1, Compositions, And Methods Of Use GALR1, GALR3, GALR2 WDR5 4553/4885MYC 2089/4885NPC1 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.