SCHEMBL4190669

SCHEMBL4190669

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

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.65
▸ TSHR P16473 1/20 0.65
▸ LMNA P02545 1/20 0.55
▸ ALDH1A1 P00352 5/20 0.54
▸ WDR5 P61964 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ CCR2 P41597 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52

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
SCHEMBL8268780 0.85 NPC1 (0.59) NPC1TSHRLMNAALDH1A1WDR5
SCHEMBL7594909 0.84 NPC1 (0.89) NPC1TSHRLMNAALDH1A1WDR5
SCHEMBL4188199 0.84 HPGD (0.66) NPC1TSHRLMNAALDH1A1WDR5
SCHEMBL4183289 0.84 NPC1 (0.60) NPC1TSHRLMNAALDH1A1WDR5
SCHEMBL7586724 0.80 NPC1 (0.68) NPC1TSHRLMNAALDH1A1SMN1; SMN2
SCHEMBL7572911 0.79 NPC1 (1.00) NPC1TSHRALDH1A1WDR5TP53
SCHEMBL13658203 0.78 SMN1; SMN2 (0.47) NPC1TSHRLMNAALDH1A1SMN1; SMN2
SCHEMBL14048137 0.77 KMT2A (0.57) NPC1TSHRLMNAALDH1A1SMN1; SMN2
SCHEMBL4192352 0.75 NPC1 (0.58) NPC1TSHRALDH1A1SMN1; SMN2MEN1
SCHEMBL4187686 0.75 WDR5 (0.63) NPC1TSHRLMNAWDR5CCR2

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
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-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 NPC1 4565/4885TSHR 156/4885LMNA 1501/4885
US-20090247536-A1 Bissulfonamide Compounds As Agonists Of GalR1, Compositions, And Methods Of Use GALR1, GALR3, GALR2 NPC1 4565/4885TSHR 156/4885LMNA 1501/4885

“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.

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