SCHEMBL4183295

SCHEMBL4183295

CC(C)(C)OC(=O)N1CCc2sc(S(=O)(=O)Cl)cc2C1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.50
NR1H2 P55055 1/20 0.49
BRD4 O60885 1/20 0.45
CREBBP Q92793 1/20 0.45
ADORA1 P30542 2/20 0.44
HDAC6 Q9UBN7 1/20 0.43
MAPK1 P28482 1/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.41
NAMPT P43490 1/20 0.39
SCN9A Q15858 1/20 0.38
MKNK1 Q9BUB5 3/20 0.38
STS P08842 2/20 0.37
GRAMD1A Q96CP6 1/20 0.37
GPR119 Q8TDV5 1/20 0.37

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
SCHEMBL3010467 0.91 ESR2 (0.50) ESR2NR1H2BRD4CREBBPADORA1
SCHEMBL21962422 0.88 NR1H2 (0.52) ESR2NR1H2BRD4CREBBPADORA1
SCHEMBL22012111 0.86 ESR2 (0.51) ESR2NR1H2BRD4CREBBPADORA1
SCHEMBL21962254 0.85 ESR2 (0.47) ESR2NR1H2BRD4CREBBPADORA1
SCHEMBL21962187 0.82 ESR2 (0.44) ESR2NR1H2BRD4CREBBPADORA1
SCHEMBL6421569 0.81 ESR2 (0.55) ESR2NR1H2BRD4CREBBPADORA1
SCHEMBL28769697 0.81 HDAC6 (0.40) ESR2HDAC6
SCHEMBL22012113 0.81 NR1H2 (0.45) ESR2NR1H2BRD4CREBBPADORA1
SCHEMBL14876121 0.80 NR1H2 (0.60) ESR2NR1H2BRD4CREBBPADORA1
SCHEMBL1017283 0.80 ESR2 (0.54) ESR2NR1H2BRD4CREBBPADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 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
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 (3 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 ESR2 539/4885NR1H2 725/4885BRD4 1020/4885
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 ESR2 2842/4885NR1H2 334/4885BRD4 1078/4885
US-20090247536-A1 Bissulfonamide Compounds As Agonists Of GalR1, Compositions, And Methods Of Use GALR1, GALR3, GALR2 ESR2 539/4885NR1H2 725/4885BRD4 1020/4885

“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.