SCHEMBL1759072

SCHEMBL1759072

Cc1ccc(S(=O)(=O)OCC[O])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
VDR P11473 1/20 0.46
CA1 P00915 3/20 0.46
CA9 Q16790 3/20 0.46
CA12 O43570 2/20 0.46
ALDH1A1 P00352 6/20 0.44
STAT3 P40763 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CA2 P00918 2/20 0.43
CA3 P07451 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
TLR9 Q9NR96 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL241884 0.90 CA1 (0.52) GAAVDRCA1CA9CA12
SCHEMBL1759097 0.89 ALDH1A1 (0.47) GAAVDRCA1CA9CA12
SCHEMBL1759342 0.89 ALDH1A1 (0.46) GAAVDRCA1CA9CA12
SCHEMBL8856851 0.86 GAA (0.45) GAAVDRCA1CA9CA12
Ethylene SCHEMBL3466431 0.86 CA1 (0.50) GAAVDRCA1CA9CA12
SCHEMBL483847 0.86 ALDH1A1 (0.50) GAAVDRCA1CA9CA12
Ethylene SCHEMBL4379131 0.86 CA1 (0.50) GAAVDRCA1CA9CA12
Water SCHEMBL7788572 0.86 CA1 (0.50) GAAVDRCA1CA9CA12
SCHEMBL890725 0.86 ALDH1A1 (0.50) GAAVDRCA1CA9CA12
SCHEMBL1145153 0.84 ALDH1A1 (0.53) GAAVDRCA1CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020009176-A1 AMIDE COMPOUND HAVING BET PROTEOLYSIS-INDUCING ACTION AND MEDICINAL APPLICATION THEREOF 田辺三菱製薬株式会社 2020-01-09 WO disclosed
US-10081600-B2 2-alkoxy-11-hydroxyaporphine derivatives and uses thereof THE MCLEAN HOSPITAL CORPORATION (US) 2018-09-25 US disclosed
US-20170166531-A1 2-ALKOXY-11-HYDROXYAPORPHINE DERIVATIVES AND USES THEREOF THE MCLEAN HOSPITAL CORPORATION 2017-06-15 US disclosed
US-9517279-B2 2-alkoxy-11-hydroxyaporphine derivatives and uses thereof THE MCLEAN HOSPITAL CORPORATION (US) 2016-12-13 US disclosed
US-9017645-B2 Homoglutamic acid derivatives PIRAMAL IMAGING SA (CH) 2015-04-28 US disclosed
US-20140309424-A1 DIRECT SYNTHESIS OF 18F-FLUOROMETHOXY COMPOUNDS FOR PET IMAGING AND THE PROVISION OF NEW PRECURSORS FOR DIRECT RADIOSYNTHESIS OF PROTECTED DERIVATIVES OF O-([18F] FLUOROMETHYL) TYROSINE PIRAMAL IMAGING SA (CH) 2014-10-16 US disclosed
EP-2751087-A1 DIRECT SYNTHESIS OF 18F-FLUOROMETHOXY COMPOUNDS FOR PET IMAGING AND THE PROVISION OF NEW PRECURSORS FOR DIRECT RADIOSYNTHESIS OF PROTECTED DERIVATIVES OF O-([18F]FLUOROMETHYL)TYROSINE Piramal Imaging SA (CH) 2014-07-09 EP disclosed
US-20130209362-A1 2-ALKOXY-11-HYDROXYAPORPHINE DERIVATIVES AND USES THEREOF THE MCLEAN HOSPITAL CORPORATION (US) 2013-08-15 US disclosed
US-20130071327-A1 HOMOGLUTAMIC ACID DERIVATIVES PIRAMAL IMAGING SA (CH) 2013-03-21 US disclosed
WO-2013001088-A1 DIRECT SYNTHESIS OF 18F-FLUOROMETHOXY COMPOUNDS FOR PET IMAGING AND THE PROVISION OF NEW PRECURSORS FOR DIRECT RADIOSYNTHESIS OF PROTECTED DERIVATIVES OF O-([18F]FLUOROMETHYL) TYROSINE PIRAMAL IMAGING SA (CH) 2013-01-03 WO disclosed
US-6041157-A Environmentally sensitive compositions of matter based on 3H-fluoren-3-ylidenes and process for making same GOETZ FREDERICK JAMES (US) 2000-03-21 US disclosed
US-5753644-A Vasopressin antagonist and oxytocin antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed
US-5639770-A SUPEROXIDE INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-06-17 US disclosed
US-5622947-A VASODILATORS, HYPOTENSIVE AGENTS, DIURETICS, PLATELET AGGLUTINATION INHIBITORS; ALSO USED TO PREVENT PREMATURE BIRTH, TREAT DYSMENORRHEA OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-04-22 US disclosed
EP-0514667-B1 Benzazepin derivatives as vasopressin antagonists OTSUKA PHARMA CO LTD (JP) 1995-08-09 EP disclosed
EP-0620003-A1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed
EP-0600092-A1 THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-08 EP disclosed
US-5244898-A Vasopressin antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-09-14 US disclosed
EP-0514667-A1 Benzazepin derivatives as vasopressin antagonists OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-25 EP disclosed
EP-0133259-A2 Aminoalkyl-substituted benzene derivatives, process for production thereof, and pharmaceutical composition thereof KOWA COMPANY, LTD. (JP) 1985-02-20 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-10081600-B2 2-alkoxy-11-hydroxyaporphine derivatives and uses thereof HTR5A, HTR2C, HTR3A GAA 2040/4885VDR 476/4885CA1 4347/4885
US-20130209362-A1 2-ALKOXY-11-HYDROXYAPORPHINE DERIVATIVES AND USES THEREOF HTR5A, HTR2C, HTR3A GAA 2040/4885VDR 476/4885CA1 4347/4885
US-20130071327-A1 HOMOGLUTAMIC ACID DERIVATIVES FGB, GGCT, RIMKLA GAA 61/4885VDR 2981/4885CA1 551/4885
US-20170166531-A1 2-ALKOXY-11-HYDROXYAPORPHINE DERIVATIVES AND USES THEREOF HTR5A, HTR2C, HTR3A GAA 2040/4885VDR 476/4885CA1 4347/4885
US-20140309424-A1 DIRECT SYNTHESIS OF 18F-FLUOROMETHOXY COMPOUNDS FOR PET IMAGING AND THE PROVISION OF NEW PRECURSORS FOR DIRECT RADIOSYNTHESIS OF PROTECTED DERIVATIVES OF O-([18F] FLUOROMETHYL) TYROSINE TH, TYR, FTO GAA 955/4885VDR 4201/4885CA1 2678/4885

“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.