SCHEMBL4192989

SCHEMBL4192989

Nc1ccccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 9/20 0.70
SLC40A1 Q9NP59 3/20 0.54
LMNA P02545 2/20 0.52
ALDH1A1 P00352 1/20 0.52
GLA P06280 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CDK1 P06493 1/20 0.49
CCNB1 P14635 1/20 0.49
CCNA2 P20248 1/20 0.49
CCND1 P24385 1/20 0.49
CDK2 P24941 1/20 0.49
CDK7 P50613 1/20 0.49
CCNH P51946 1/20 0.49
CCNA1 P78396 1/20 0.49
CDK6 Q00534 1/20 0.49
PTGES2 Q9H7Z7 1/20 0.47
SLC22A12 Q96S37 1/20 0.46
ERAP1 Q9NZ08 1/20 0.46

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
SCHEMBL4192981 0.83 MCL1 (0.60) MCL1SLC40A1LMNAALDH1A1GLA
SCHEMBL4190508 0.82 MCL1 (0.67) MCL1LMNAALDH1A1GLAL3MBTL1
SCHEMBL10702348 0.82 MCL1 (0.70) MCL1SLC40A1LMNAALDH1A1GLA
SCHEMBL4192999 0.81 ALPL (0.58) MCL1SLC40A1ALDH1A1ERAP1
SCHEMBL30737433 0.78 PTGES2 (0.56) MCL1SLC40A1ALDH1A1PTGES2SLC22A12
SCHEMBL5605540 0.78 SLC40A1 (0.64) MCL1SLC40A1LMNAALDH1A1PTGES2
SCHEMBL13653282 0.77 MCL1 (0.56) MCL1LMNAALDH1A1GLAL3MBTL1
SCHEMBL13615259 0.76 MCL1 (0.62) MCL1LMNAALDH1A1GLAL3MBTL1
SCHEMBL5605439 0.76 PTGES2 (0.52) MCL1SLC40A1LMNAALDH1A1PTGES2
SCHEMBL30450095 0.75 MCL1 (0.72) MCL1LMNAALDH1A1

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 MCL1 2757/4885SLC40A1 4848/4885LMNA 1501/4885
US-20090247536-A1 Bissulfonamide Compounds As Agonists Of GalR1, Compositions, And Methods Of Use GALR1, GALR3, GALR2 MCL1 2757/4885SLC40A1 4848/4885LMNA 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.