SCHEMBL994713

SCHEMBL994713

O=S(=O)(OCC1CC1)OCC1CC1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.30
SLC1A2 P43004 2/20 0.30
SLC1A1 P43005 2/20 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
SCHEMBL1062380 0.78
SCHEMBL14414058 0.78 USP2 (0.42)
SCHEMBL7705221 0.78 USP2 (0.42)
SCHEMBL11027256 0.72
SCHEMBL18367814 0.71 KDM4E (0.36)
SCHEMBL6282115 0.71 KDM4E (0.36)
Acetic Acid SCHEMBL2479619 0.69 SLC1A3 (0.35) SLC1A3SLC1A2SLC1A1
SCHEMBL17674869 0.69 KDM4E (0.34)
SCHEMBL20855695 0.69 KDM4E (0.34)
SCHEMBL11160927 0.69 KDM4E (0.34)

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
EP-2147920-B1 Process for the preparation of quaternary n-alkyl morphinan alkaloid salts MALLINCKRODT LLC (US) 2016-08-31 EP claimed
US-9415044-B2 Process for the preparation of quaternary N-alkyl morphinan alkaloid salts MALLINCKRODT LLC (US) 2016-08-16 US claimed
US-20150164886-A9 Process for the Preparation of Quaternary N-Alkyl Morphinan Alkaloid Salts MALLINCKRODT INC. (US) 2015-06-18 US claimed
US-20150099773-A1 PROCESS FOR THE PREPARATION OF QUATERNARY N-ALKYL MORPHINAN ALKALOID SALTS VTESSE LLC 2015-04-09 US claimed
US-20100035910-A1 Process for the Preparation of Quaternary N-Alkyl Morphinan Alkaloid Salts MALLINCKRODT INC. (US) 2010-02-11 US claimed
EP-2147920-A2 Process for the preparation of quaternary n-alkyl morphinan alkaloid salts Mallinckrodt Inc. (US) 2010-01-27 EP claimed
EP-2137189-A2 PROCESS FOR THE PREPARATION OF QUATERNARY N-ALKYL MORPHINAN ALKALOID SALTS Mallinckrodt Inc. (US) 2009-12-30 EP claimed
WO-2008109156-A2 PROCESS FOR THE PREPARATION OF QUATERNARY N-ALKYL MORPHINAN ALKALOID SALTS MALLINCKRODT INC. (US) 2008-09-12 WO claimed
US-9527858-B2 Compounds and compositions for use in phototherapy and in treatment of ocular neovascular disease and cancers MALLINCKRODT LLC (US) 2016-12-27 US disclosed
US-9518062-B2 Compounds and compositions for use in phototherapy and in treatment of ocular neovascular disease and cancers MALLINCKRODT LLC (US) 2016-12-13 US disclosed
EP-2147920-B1 Process for the preparation of quaternary n-alkyl morphinan alkaloid salts MALLINCKRODT LLC (US) 2016-08-31 EP disclosed
US-9415044-B2 Process for the preparation of quaternary N-alkyl morphinan alkaloid salts MALLINCKRODT LLC (US) 2016-08-16 US disclosed
US-20150164886-A9 Process for the Preparation of Quaternary N-Alkyl Morphinan Alkaloid Salts MALLINCKRODT INC. (US) 2015-06-18 US disclosed
US-9040726-B2 Process for the preparation of quaternary N-alkyl morphinan alkaloid salts MALLINCKRODT LLC (US) 2015-05-26 US disclosed
US-20100035910-A1 Process for the Preparation of Quaternary N-Alkyl Morphinan Alkaloid Salts MALLINCKRODT INC. (US) 2010-02-11 US disclosed
EP-2147920-A2 Process for the preparation of quaternary n-alkyl morphinan alkaloid salts Mallinckrodt Inc. (US) 2010-01-27 EP disclosed
EP-2137189-A2 PROCESS FOR THE PREPARATION OF QUATERNARY N-ALKYL MORPHINAN ALKALOID SALTS Mallinckrodt Inc. (US) 2009-12-30 EP disclosed
WO-2008109156-A2 PROCESS FOR THE PREPARATION OF QUATERNARY N-ALKYL MORPHINAN ALKALOID SALTS MALLINCKRODT INC. (US) 2008-09-12 WO disclosed
US-20030055297-A1 An alkyl, cycloalkyl, arylalkyl dihydroxy compound useful as intermediates; a cost-effective preparation ABBOTT LABORATORIES 2003-03-20 US disclosed
WO-2002081441-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PYRROLIDINE NEURAMINIDASE INHIBITORS ABBOTT LABORATORIES (US) 2002-10-17 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 (4 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-20100035910-A1 Process for the Preparation of Quaternary N-Alkyl Morphinan Alkaloid Salts RAN, RANBP1, NCLN SLC1A3 1333/4885SLC1A2 1153/4885SLC1A1 1307/4885
US-20030055297-A1 An alkyl, cycloalkyl, arylalkyl dihydroxy compound useful as intermediates; a cost-effective preparation NEU4, NEU2, NEU1 SLC1A3 3877/4885SLC1A2 3989/4885SLC1A1 4021/4885
US-20150099773-A1 PROCESS FOR THE PREPARATION OF QUATERNARY N-ALKYL MORPHINAN ALKALOID SALTS RAN, RANBP1, NCLN SLC1A3 1333/4885SLC1A2 1153/4885SLC1A1 1307/4885
US-20150164886-A9 Process for the Preparation of Quaternary N-Alkyl Morphinan Alkaloid Salts RAN, RANBP1, NCLN SLC1A3 1333/4885SLC1A2 1153/4885SLC1A1 1307/4885

“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.