SCHEMBL4546740

SCHEMBL4546740

O=S(=O)(O)CCSOOO

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.35
▸ PDE4A P27815 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ SLC6A6 P31641 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ APP P05067 1/20 0.32

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
SCHEMBL13494362 0.87 PTGS1 (0.30) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL12680246 0.87 PTGS1 (0.30) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL13765228 0.86 APP (0.39) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL13694506 0.81 PTGS1 (0.33) PTGS1PDE4A
SCHEMBL26084391 0.80 — —
SCHEMBL13231025 0.78 APP (0.33) APP
SCHEMBL12226836 0.77 — —
SCHEMBL14407786 0.76 — —
SCHEMBL12190369 0.76 — —
SCHEMBL14172469 0.73 EPHX2 (0.42) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11780834-B2 Solid forms of 3-((1R,3R)-1-(2,6-difluoro-4-((1-(3-fluoropropyl)azetidin-3- yl)amino)phenyl)-3-methyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl)-2,2-difluoropropan-1-ol and processes for preparing fused tricyclic compounds comprising a substituted phenyl or pyridinyl moiety, including methods of their use GENENTECH, INC. (US) 2023-10-10 — — US disclosed
US-20230165876-A1 METHYLTHIONINIUM COMPOUNDS FOR USE IN THE TREATMENT OF COVID-19 WISTA LABORATORIES LTD. (SG) 2023-06-01 — — US disclosed
US-20230165877-A1 ADMINISTRATION AND DOSAGE OF DIAMINOPHENOTHIAZINES WISTA LABORATORIES LTD. (SG) 2023-06-01 — — US disclosed
US-8182581-B2 use of these novel bis-cationic and/or bis-anionic ionic liquids as the stationary phase in a gas chromatographic column SIGMA-ALDRICH CO. LLC (US) 2012-05-22 — — US disclosed
US-8168830-B2 use of these novel ionic liquids having bis-cation or bis-anion separated by bridging group as the stationary phase in a gas chromatographic column SIGMA-ALDRICH CO. LLC (US) 2012-05-01 — — US disclosed
US-7914965-B2 Resist composition and method of pattern formation with the same FUJIFILM CORPORATION (JP) 2011-03-29 — — US disclosed
US-20100305080-A1 Novel Crystalline Salts of Montelukast O'SHEA PAUL 2010-12-02 — — US disclosed
US-20080275251-A1 Novel Intermediates and Their Use GLAXO GROUP LIMITED (GB) 2008-11-06 — — US disclosed
US-7429679-B2 Sulphonic acid salt of sibutramine CJ CORPORATION (KR) 2008-09-30 — — US disclosed
US-20080027231-A1 High stability diionic liquid salts SIGMA-ALDRICH CO. (US) 2008-01-31 — — US disclosed
US-20070191481-A1 Sulphonic acid salt of sibutramine CJ CORPORATION (KR) 2007-08-16 — — US 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 (7 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-20230165876-A1 METHYLTHIONINIUM COMPOUNDS FOR USE IN THE TREATMENT OF COVID-19 ACE2, BHMT2, ICMT PTGS1 1619/4885PDE4A 2653/4885LMNA 3014/4885
US-20080027231-A1 High stability diionic liquid salts H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HDHD5, DAD1 PTGS1 2682/4885PDE4A 3996/4885LMNA 739/4885
US-20070191481-A1 Sulphonic acid salt of sibutramine GPR119, FABP6, HTR6 PTGS1 2352/4885PDE4A 1872/4885LMNA 4391/4885
US-20230165877-A1 ADMINISTRATION AND DOSAGE OF DIAMINOPHENOTHIAZINES ACHE, BCHE, PNMT PTGS1 3666/4885PDE4A 759/4885LMNA 4703/4885
US-11780834-B2 Solid forms of 3-((1R,3R)-1-(2,6-difluoro-4-((1-(3-fluoropropyl)azetidin-3- yl)amino)phenyl)-3-methyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl)-2,2-difluoropropan-1-ol and processes for preparing fused tricyclic compounds comprising a substituted phenyl or pyridinyl moiety, including methods of their use TP53, DPYD, FLI1 PTGS1 1521/4885PDE4A 3963/4885LMNA 2912/4885
US-20100305080-A1 Novel Crystalline Salts of Montelukast LTC4S, CYSLTR1, CYSLTR2 PTGS1 31/4885PDE4A 1285/4885LMNA 3721/4885
US-20080275251-A1 Novel Intermediates and Their Use PLEC, NISCH, ALK PTGS1 2412/4885PDE4A 995/4885LMNA 4377/4885

“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.

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