SCHEMBL4190508

SCHEMBL4190508

O=S(=O)(Nc1ccccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)c1ccc(Cl)cc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 8/20 0.67
KDM1A O60341 1/20 0.55
PTGES2 Q9H7Z7 1/20 0.54
CCR2 P41597 3/20 0.53
CCR1 P32246 2/20 0.53
ALDH1A1 P00352 3/20 0.50
LMNA P02545 2/20 0.50
GLA P06280 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 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
SCHEMBL4183289 0.85 NPC1 (0.60) KDM1APTGES2CCR2CCR1ALDH1A1
SCHEMBL4192989 0.82 MCL1 (0.70) MCL1PTGES2ALDH1A1LMNAGLA
SCHEMBL10826418 0.81 KDM1A (0.62) MCL1KDM1ACCR2CCR1LMNA
SCHEMBL10702348 0.80 MCL1 (0.70) MCL1ALDH1A1LMNAGLAL3MBTL1
SCHEMBL7588697 0.79 PTGES2 (0.74) KDM1APTGES2LMNAMEN1MAPT
SCHEMBL30450095 0.79 MCL1 (0.72) MCL1KDM1ACCR2CCR1ALDH1A1
SCHEMBL15228439 0.79 MCL1 (0.72) MCL1KDM1ACCR2CCR1ALDH1A1
SCHEMBL7580383 0.79 MCL1 (0.68) MCL1PTGES2CCR2CCR1LMNA
SCHEMBL4192981 0.78 MCL1 (0.60) MCL1KDM1AALDH1A1LMNAGLA
SCHEMBL7593595 0.77 CCR9 (0.62) MCL1KDM1APTGES2CCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2757/4885KDM1A 3427/4885PTGES2 3192/4885
US-20090247536-A1 Bissulfonamide Compounds As Agonists Of GalR1, Compositions, And Methods Of Use GALR1, GALR3, GALR2 MCL1 2757/4885KDM1A 3427/4885PTGES2 3192/4885

“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.