SCHEMBL5689593

SCHEMBL5689593

CC(CC(=O)O)S(C)(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
GABRP O00591 2/20 0.37
GABRD O14764 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRB1 P18505 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRB2 P47870 2/20 0.37
GABRA4 P48169 2/20 0.37
GABRE P78334 2/20 0.37
GABRA6 Q16445 2/20 0.37
GABRG1 Q8N1C3 2/20 0.37
GABRG3 Q99928 2/20 0.37
GABRQ Q9UN88 2/20 0.37
CACNA2D1 P54289 2/20 0.37
CACNB3 P54284 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
SCHEMBL7354948 1.00 SLC22A6 (0.39) SLC22A6TDP1GABRPGABRDGABRA1
SCHEMBL16232092 0.79 ALDH1A1 (0.50) TDP1PMP22
SCHEMBL837488 0.79 SLC22A6 (0.39) SLC22A6TDP1GABRPGABRDGABRA1
SCHEMBL17337272 0.77 GABRP (0.41) SLC22A6TDP1GABRPGABRDGABRA1
SCHEMBL27470417 0.77 PMP22 (0.35) TDP1GABRPGABRDGABRA1GABRB1
SCHEMBL23736086 0.77 PMP22 (0.39) SLC22A6TDP1GABRPGABRDGABRA1
SCHEMBL8515868 0.77 PMP22 (0.35) TDP1GABRPGABRDGABRA1GABRB1
SCHEMBL28773518 0.77 SLC22A6 (0.38) SLC22A6TDP1GABRPGABRDGABRA1
SCHEMBL27635838 0.77 PMP22 (0.35) PMP22
SCHEMBL5844475 0.75 GABRP (0.44) SLC22A6TDP1GABRPGABRDGABRA1

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114591208-B Synthetic method of gamma-mercapto-beta-sulfonyl methyl butyrate 成都理工大学 2023-02-10 CN disclosed
CN-114591208-A Synthetic method of gamma-mercapto-beta-sulfonyl methyl butyrate 成都理工大学 2022-06-07 CN disclosed
CN-106883154-A A kind of method of continuous synthesis sulphones 凯莱英医药集团(天津)股份有限公司 2017-06-23 CN disclosed
WO-2014070092-A1 FUNCTIONALIZED CELLULOSE NANOCRYSTALS, A METHOD FOR THE PREPARATION THEREOF AND USE OF FUNCTIONALIZED CELLULOSE NANOCRYSTALS IN COMPOSITES AND FOR GRAFTING SWETREE TECHNOLOGIES AB (SE) 2014-05-08 WO disclosed
CN-101015695-A Retroviral protease inhibitor combination SEARLE & CO (US) 2007-08-15 CN disclosed
CN-1290500-C Combinations of retroviral protease inhibitors SEARLE & CO (US) 2006-12-20 CN disclosed
US-20060264483-A1 Sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-11-23 US disclosed
US-20060240410-A1 Retroviral protease inhibitor combinations G.D. SEARLE & CO. (US) 2006-10-26 US disclosed
US-7045518-B2 Sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-05-16 US disclosed
EP-1649871-A1 Retroviral protease inhibitor combinations G.D. Searle LLC. (US) 2006-04-26 EP disclosed
US-5985870-A TREATING HIV INFECTIONS G.D. SEARLE & CO. (US) 1999-11-16 US disclosed
US-5705500-A HIV TREATMENT G.D. SEARLE & CO. (US) 1998-01-06 US disclosed
EP-0813519-A1 SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1997-12-29 EP disclosed
CN-1166786-A Combinations of retroviral protease inhibitors SEARLE & CO (US) 1997-12-03 CN disclosed
EP-0762880-A1 RETROVIRAL PROTEASE INHIBITOR COMBINATIONS G.D. SEARLE & CO. (US) 1997-03-19 EP disclosed
WO-1996028418-A1 SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-09-19 WO disclosed
WO-1995033464-A2 RETROVIRAL PROTEASE INHIBITOR COMBINATIONS G.D. SEARLE & CO. (US) 1995-12-14 WO disclosed
EP-0656888-A1 SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-06-14 EP disclosed
EP-0641325-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1995-03-08 EP disclosed
WO-1993023379-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1993-11-25 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 (1 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-20060264483-A1 Sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, PRSS1 SLC22A6 2382/4885TDP1 2120/4885GABRP 1451/4885

“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.