SCHEMBL657861

SCHEMBL657861

O=S(=O)(O)CCN1CCN(CCO)CC1.O=S(=O)(O)CCN1CCNCC1CCO

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA4 P22748 2/20 0.40
CA9 Q16790 2/20 0.40
TAAR1 Q96RJ0 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
SCHEMBL1011987 0.92 CA1 (0.35) CA1CA2CA4CA9TAAR1
SCHEMBL83681 0.92 CA1 (0.44) CA1CA2CA4CA9TAAR1
SCHEMBL1767625 0.90 KDM4E (0.39) CA1CA2CA4CA9
SCHEMBL182978 0.87 CA1 (0.35) CA1CA2CA4CA9
SCHEMBL308664 0.86 CA1 (0.37) CA1CA2CA4CA9
Acetonitrile SCHEMBL28171050 0.85 CA1 (0.40) CA1CA2CA4CA9TAAR1
SCHEMBL2587081 0.84 CA1 (0.43) CA1CA2CA4CA9TAAR1
SCHEMBL651045 0.84 CA1 (0.39) CA1CA2CA4CA9TAAR1
Sulfuric Acid SCHEMBL28700686 0.83 CA1 (0.46) CA1CA2CA4CA9TAAR1
SCHEMBL62392 0.83 CA1 (0.35) CA1CA2CA4CA9TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110039330-A1 ANIMAL CELL CULTURE MEDIA COMPRISING NON ANIMAL OR PLANT DERIVED NUTRIENTS Life Technologies Corporation (US) 2011-02-17 US claimed
EP-3492464-B1 INTERMEDIATES FOR PREPARING INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC (US) 2020-08-19 EP disclosed
US-10668071-B2 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-06-02 US disclosed
US-10603318-B2 Inhibitors of hepatitis C virus GILEAD PHARMASSET LLC (US) 2020-03-31 US disclosed
CN-106117309-B The inhibitor of Hepatitis C Virus 吉利德制药有限责任公司 2019-08-30 CN disclosed
US-10335409-B2 Inhibitors of hepatitis C virus GILEAD PHARMASSET LLC (US) 2019-07-02 US disclosed
EP-3492464-A1 INTERMEDIATES FOR PREPARING INHIBITORS OF HEPATITIS C VIRUS Gilead Sciences, Inc. (US) 2019-06-05 EP disclosed
EP-3481823-A1 7-SUBSTITUTED 1-PYRIDYL-NAPHTHYRIDINE-3-CARBOXYLIC ACID AMIDES AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2019-05-15 EP disclosed
US-20190008858-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2019-01-10 US disclosed
EP-3159345-B1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES INC (US) 2019-01-09 EP disclosed
US-20110098292-A1 New Compounds Useful for Treating CNS Disorders ASTRAZENECA AB (SE) 2011-04-28 US disclosed
US-7259246-B2 Hybridoma cell line producing monoclonal antibodies to bind to, to detect and qualitatively and quantitatively measure the presence of epitopes of prion proteins; neurodegenerative diseases of the central nervous system UNIVERSITAT ZURICH (CH) 2007-08-21 US disclosed
US-20060025575-A1 Hybridoma cell line producing monoclonal antibodies to bind to, to detect and qualitatively and quantitatively measure the presence of epitopes of prion proteins; neurodegenerative diseases of the central nervous system UNIVERSITAT ZURICH 2006-02-02 US disclosed
EP-1037668-A1 TRANSFECTION PARTICLES Boehringer Ingelheim International GmbH (DE) 2000-09-27 EP disclosed
EP-1007700-A1 IMMUNOLOGICAL DETECTION OF PRIONS Kanton Zürich vertreten durch Die Erziehungsdirektion (CH) 2000-06-14 EP disclosed
EP-0945138-A1 Transfection particles Université Louis Pasteur de Strasbourg (FR) 1999-09-29 EP disclosed
WO-1999029349-A1 TRANSFECTION PARTICLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 1999-06-17 WO disclosed
EP-0462009-B1 Cephalosporins having in position 3 a propenyl radical substituted by a quaternary ammonium, their process for preparation, their use as medicaments, compositions containing them and intermediates HOECHST MARION ROUSSEL INC (FR) 1998-10-28 EP disclosed
WO-1998037210-A1 IMMUNOLOGICAL DETECTION OF PRIONS KANTON ZÜRICH vertreten durch DIE ERZIEHUNGSDIREKTION (CH) 1998-08-27 WO disclosed
EP-0462009-A1 Cephalosporins having in position 3 a propenyl radical substituted by a quaternary ammonium, their process for preparation, their use as medicaments, compositions containing them and intermediates ROUSSEL UCLAF (FR) 1991-12-18 EP 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 (5 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-20190008858-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 CA1 2504/4885CA2 3687/4885CA4 2940/4885
US-10603318-B2 Inhibitors of hepatitis C virus HAVCR2, SLC10A1, GOT1 CA1 2504/4885CA2 3687/4885CA4 2940/4885
US-10668071-B2 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use SERPINB6, SERPINC1, SERPINE1 CA1 3067/4885CA2 4723/4885CA4 4237/4885
US-20110098292-A1 New Compounds Useful for Treating CNS Disorders SLC18A2, PMP22, GAP43 CA1 1430/4885CA2 2299/4885CA4 2403/4885
US-10335409-B2 Inhibitors of hepatitis C virus HAVCR2, SLC10A1, GOT1 CA1 2504/4885CA2 3687/4885CA4 2940/4885

“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.