SCHEMBL3050772

SCHEMBL3050772

O=C(O)NS(=O)(=O)C1CC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.33
SCN5A Q14524 3/20 0.33
HDAC4 P56524 1/20 0.33
AURKA O14965 1/20 0.31
TPX2 Q9ULW0 1/20 0.31
KDM1A O60341 1/20 0.30

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
SCHEMBL14103319 0.78 KDM1A (0.36) SCN9AHDAC4KDM1A
SCHEMBL27704919 0.77 TDP1 (0.34) SCN9ASCN5A
SCHEMBL6382335 0.77 SCN9A (0.31) SCN9ASCN5A
SCHEMBL13561 0.77 SCN9A (0.33) SCN9ASCN5AAURKATPX2
SCHEMBL6885111 0.75 EPHX2 (0.37) HDAC4
SCHEMBL28211761 0.74 MCL1 (0.37) KDM1A
SCHEMBL22090484 0.73 SCN5A (0.31) SCN9ASCN5A
SCHEMBL19268285 0.73 SCN9A (0.32) SCN9ASCN5A
SCHEMBL16235740 0.73 SCN9A (0.32) SCN9ASCN5A
SCHEMBL1478997 0.72 LMNA (0.44) SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023121939-A1 SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC (US) 2023-06-29 WO disclosed
US-11021493-B2 1,4-thiazine dioxide and 1,2,4-thiadiazine dioxide derivatives as beta-secretase inhibitors and methods of use AMGEN INC. (US) 2021-06-01 US disclosed
US-20200231601-A1 1,4-THIAZINE DIOXIDE AND 1,2,4-THIADIAZINE DIOXIDE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2020-07-23 US disclosed
EP-3555086-A1 1,4-THIAZINE DIOXIDE AND 1,2,4-THIADIAZINE DIOXIDE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND METHODS OF USE Amgen Inc. (US) 2019-10-23 EP disclosed
EP-2780026-B1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2019-10-23 EP disclosed
WO-2018112094-A1 1,4-THIAZINE DIOXIDE AND 1,2,4-THIADIAZINE DIOXIDE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2018-06-21 WO disclosed
US-9328138-B2 HCV NS3 protease inhibitors MSD ITALIA S.R.L. (IT) 2016-05-03 US disclosed
EP-2780026-A2 HCV NS3 PROTEASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-09-24 EP disclosed
CN-103732613-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2014-04-16 CN disclosed
WO-2013074386-A2 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-05-23 WO disclosed
CN-101568336-B Use of macrocyclic peptides for the preparation of hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2012-07-04 CN disclosed
CN-101568543-B Macrocyclic peptides as hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2012-06-06 CN disclosed
US-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-08-12 US disclosed
CN-101568336-A Macrocyclic peptides as hepatitis C virus inhibitors BRISTOL MYERS SQUIBB CO (US) 2009-10-28 CN disclosed
CN-101568543-A Macrocyclic peptides as hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO (US) 2009-10-28 CN disclosed
EP-2066688-A2 MACROCYCLIC HCV INHIBITORS AND THEIR USES Novartis AG (CH) 2009-06-10 EP disclosed
WO-2008033389-A2 MACROCYCLIC HCV INHIBITORS AND THEIR USES NOVARTIS AG (CH) 2008-03-20 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-20200231601-A1 1,4-THIAZINE DIOXIDE AND 1,2,4-THIADIAZINE DIOXIDE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND METHODS OF USE BACE1, BACE2, APP SCN9A 3099/4885SCN5A 1241/4885HDAC4 2446/4885
US-11021493-B2 1,4-thiazine dioxide and 1,2,4-thiadiazine dioxide derivatives as beta-secretase inhibitors and methods of use BACE1, BACE2, APP SCN9A 3099/4885SCN5A 1241/4885HDAC4 2446/4885
US-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 SCN9A 3590/4885SCN5A 3088/4885HDAC4 2058/4885

“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.