SCHEMBL8000451

SCHEMBL8000451

CS(=O)(=O)OCCc1cccc(OS(C)(=O)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
TAAR1 Q96RJ0 1/20 0.40
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
F2 P00734 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
ALDH1A2 O94788 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ALDH1B1 P30837 1/20 0.37
ALDH1A3 P47895 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
IDO1 P14902 1/20 0.37
AGXT P21549 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
SCHEMBL3193515 0.91 KDM4E (0.41) FAAHTAAR1CHRM2CHRM1CHRM3
SCHEMBL4859900 0.87 TAAR1 (0.56) TAAR1CHRM2CHRM1CHRM3IDO1
SCHEMBL3593702 0.83 IDO1 (0.46) FAAHCA1CA2CA9ALDH1A2
SCHEMBL9191664 0.83 KDM4E (0.46) FAAHTAAR1PPARGPPARAALDH1A1
SCHEMBL27920227 0.82 TAAR1 (0.62) CA1CA2CA9TAAR1DRD2
SCHEMBL13454202 0.82 FAAH (0.43) FAAHCA1CA2CA9TAAR1
SCHEMBL6941013 0.82 CYP4F2 (0.53) FAAHTAAR1ALDH1A1
SCHEMBL28747906 0.82 FAAH (0.43) FAAHCA1CA2CA9TAAR1
SCHEMBL6761017 0.82 MGLL (0.44) FAAHALDH1A2ALDH1A1ALDH1B1ALDH1A3
SCHEMBL9854763 0.81 PPARG (0.46) CA1CA2CA9F2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9925182-B2 Compositions, dosage forms, and co-administration of an opioid agonist compound and an analgesic compound NEKTAR THERAPEUTICS (US) 2018-03-27 US disclosed
US-9827239-B2 Oligomer-opioid agonist conjugates NEKTAR THERAPEUTICS (US) 2017-11-28 US disclosed
US-20170112826-A1 OLIGOMER-OPIOID AGONIST CONJUGATES NEKTAR THERAPEUTICS 2017-04-27 US disclosed
US-20170079975-A1 Compositions, Dosage Forms, and Co-Administration of an Opioid Agonist Compound and an Analgesic Compound NEKTAR THERAPEUTICS 2017-03-23 US disclosed
US-9512135-B2 Oligomer-opioid agonist conjugates NEKTAR THERAPEUTICS (US) 2016-12-06 US disclosed
US-9457024-B2 Compositions, dosage forms, and co-administration of an opioid agonist compound and a non-steroidal anti-inflammatory drug NEKTAR THERAPEUTICS 2016-10-04 US disclosed
US-9458166-B2 Oligomer-opioid agonist conjugates NEKTAR THERAPEUTICS (US) 2016-10-04 US disclosed
US-20160130276-A1 OLIGOMER-OPIOID AGONIST CONJUGATES NEKTAR THERAPEUTICS 2016-05-12 US disclosed
US-9233167-B2 Oligomer-opioid agonist conjugates NEKTAR THERAPEUTICS (US) 2016-01-12 US disclosed
US-20150238624-A1 OLIGOMER-OPIOID AGONIST CONJUGATES NEKTAR THERAPEUTICS 2015-08-27 US disclosed
US-8952032-B2 Oligomer-opioid agonist conjugates NEKTAR THERAPEUTICS (US) 2015-02-10 US disclosed
US-20140336214-A1 Compositions, Dosage Forms, and Co-Administration of an Opioid Agonist Compound and an Analgesic Compound NEKTAR THERAPEUTICS 2014-11-13 US disclosed
US-8569343-B2 Oligomer-opioid agonist conjugates NEKTAR THERAPEUTICS (US) 2013-10-29 US disclosed
US-8440687-B2 Oligomer-opioid agonist conjugates NEKTAR THERAPEUTICS (US) 2013-05-14 US disclosed
US-20120289548-A1 OLIGOMER-OPIOID AGONIST CONJUGATES NEKTAR THERAPEUTICS (US) 2012-11-15 US disclosed
US-20120264775-A1 Oligomer-Opioid Agonist Conjugates NEKTAR THERAPEUTICS (US) 2012-10-18 US disclosed
US-6288096-B1 ANTIDIABETIC AGENTS, HYPOTENSIVE AGENTS, AND ANTICHOLESTEROL AGENTS ASTRAZENECA AB (SE) 2001-09-11 US disclosed
EP-0991632-A1 NEW THIAZOLIDINEDIONE, OXAZOLIDINEDIONE AND OXADIAZOLIDINEDIONE DERIVATIVES Astra Aktiebolag (SE) 2000-04-12 EP disclosed
WO-1998057941-A1 NEW THIAZOLIDINEDIONE, OXAZOLIDINEDIONE AND OXADIAZOLIDINEDIONE DERIVATIVES ASTRA AKTIEBOLAG (SE) 1998-12-23 WO disclosed
EP-0428423-A2 Aryloxy alkyl benzenes, processes for their preparation and pharmaceutical compositions containing them LIPHA S.A. (FR) 1991-05-22 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 (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-20170112826-A1 OLIGOMER-OPIOID AGONIST CONJUGATES OPRM1, OPRL1, OPRK1 FAAH 803/4885CA1 3927/4885CA2 4481/4885
US-20170079975-A1 Compositions, Dosage Forms, and Co-Administration of an Opioid Agonist Compound and an Analgesic Compound OPRL1, OPRM1, OPRK1 FAAH 282/4885CA1 3572/4885CA2 1893/4885
US-20150238624-A1 OLIGOMER-OPIOID AGONIST CONJUGATES OPRM1, OPRL1, OPRK1 FAAH 803/4885CA1 3927/4885CA2 4481/4885
US-20140336214-A1 Compositions, Dosage Forms, and Co-Administration of an Opioid Agonist Compound and an Analgesic Compound OPRL1, OPRM1, OPRK1 FAAH 282/4885CA1 3572/4885CA2 1893/4885
US-20160130276-A1 OLIGOMER-OPIOID AGONIST CONJUGATES OPRM1, OPRL1, OPRK1 FAAH 803/4885CA1 3927/4885CA2 4481/4885
US-20120289548-A1 OLIGOMER-OPIOID AGONIST CONJUGATES OPRM1, OPRL1, OPRK1 FAAH 803/4885CA1 3927/4885CA2 4481/4885
US-20120264775-A1 Oligomer-Opioid Agonist Conjugates OPRM1, OPRL1, OPRK1 FAAH 803/4885CA1 3927/4885CA2 4481/4885

“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.