SCHEMBL581277

SCHEMBL581277

CCOC(=O)c1ccc(OS(C)(=O)=O)cc1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STS P08842 9/20 0.73
PPARG P37231 2/20 0.62
CA1 P00915 3/20 0.59
CA2 P00918 3/20 0.59
HPGD P15428 3/20 0.59
CA12 O43570 2/20 0.59
CA9 Q16790 2/20 0.59
RECQL P46063 1/20 0.59
ESR1 P03372 1/20 0.58
CA7 P43166 1/20 0.58
ESR2 Q92731 1/20 0.58
CA14 Q9ULX7 1/20 0.58
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
MAOA P21397 1/20 0.56
GAA P10253 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL1680061 1.00 STS (0.73) STSPPARGCA1CA2HPGD
SCHEMBL28512992 0.85 STS (0.76) STSPPARGHPGDRECQLESR1
SCHEMBL17129831 0.85 STS (0.71) STSPPARGCA1CA2HPGD
SCHEMBL14720856 0.82 STS (0.68) STSPPARGCA1CA2HPGD
SCHEMBL87450 0.81 CA1 (0.83) STSCA1CA2HPGDCA12
SCHEMBL11713918 0.81 STS (0.66) STSPPARGCA1CA2HPGD
SCHEMBL3626199 0.81 CA2 (0.51) STSCA1CA2HPGDCA12
SCHEMBL980002 0.80 STS (0.71) STSCA1CA2HPGDCA12
SCHEMBL581359 0.80 KMT2A (0.65) STSPPARGCA1CA2CA12
SCHEMBL1962850 0.80 TDP1 (0.60) STSCA1CA2HPGDCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2660249-B1 PEPTIDE DERIVATIVE AND USE THEREOF UNIV KYOTO (JP) 2019-07-10 EP disclosed
EP-2484386-B1 MOLECULAR PROBE FOR PANCREATIC ISLETS IMAGING AND USE OF SAID PROBE UNIV KYOTO (JP) 2019-04-17 EP disclosed
EP-2510951-B1 MOLECULAR PROBE FOR IMAGING OF PANCREATIC ISLET, AND USE THEREOF UNIV KYOTO (JP) 2016-07-13 EP disclosed
US-9278146-B2 Peptide derivative and use of the same KYOTO UNIVERSITY (JP) 2016-03-08 US disclosed
US-9238083-B2 Molecular probe for imaging of pancreatic islets and use of the same KYOTO UNIVERSITY (JP) 2016-01-19 US disclosed
EP-2418216-B1 MOLECULAR PROBE FOR IMAGING OF PANCREATIC ISLET AND PRECURSOR THEREOF, AND USE OF THE MOLECULAR PROBE OR THE PRECURSOR UNIV KYOTO (JP) 2015-10-28 EP disclosed
CN-102282164-B Pancreas islet imaging molecular probe and precursor thereof, and their use KYOTO UNIVERSITY (JP) 2015-09-16 CN disclosed
US-20150231284-A1 MOLECULAR PROBE FOR IMAGING OF PANCREATIC ISLET AND THE PRECURSOR, AND USE OF THE SAME ARKRAY, INC. (JP) 2015-08-20 US disclosed
US-8980220-B2 Molecular probe for imaging of pancreatic islets and use of the same KYOTO UNIVERSITY (JP) 2015-03-17 US disclosed
CN-102596259-B Molecular probe for pancreatic islet imaging and use of said probe UNIV KYOTO 2015-03-11 CN disclosed
EP-2314581-B1 A process for preparing benzo[b]thiophene derivatives HEXAL AG (DE) 2012-07-25 EP disclosed
CN-102596259-A Molecular probe for pancreatic islet imaging and use of said probe UNIV KYOTO 2012-07-18 CN disclosed
US-20120087863-A1 Peptide Derivative and Use of the Same ARKRAY, INC. (JP) 2012-04-12 US disclosed
EP-2418216-A1 MOLECULAR PROBE FOR IMAGING OF PANCREATIC ISLET AND PRECURSOR THEREOF, AND USE OF THE MOLECULAR PROBE OR THE PRECURSOR Kyoto University (JP) 2012-02-15 EP disclosed
CN-102282164-A Molecular probe for imaging of pancreatic islet and precursor thereof, and use of the molecular probe or the precursor 2011-12-14 CN disclosed
US-20110206605-A1 Molecular Probe for Imaging of Pancreatic Islets and Use of the Same KYOTO UNIVERSITY (JP) 2011-08-25 US disclosed
WO-2011047877-A1 A PROCESS FOR PREPARING BENZO[B]THIOPHENE DERIVATIVES HEXAL AKTIENGESELLSCHAFT (DE) 2011-04-28 WO disclosed
EP-2314581-A1 A process for preparing benzo[b]thiophene derivatives Hexal AG (DE) 2011-04-27 EP disclosed
US-20110081663-A1 Molecular Probe for Imaging of Pancreatic Islets and Use of the Same KYOTO UNIVERSITY (JP) 2011-04-07 US disclosed
US-20110033381-A1 MOLECULAR PROBE FOR IMAGING OF PANCREATIC ISLET AND THE PRECURSOR, AND USE OF THE SAME KYOTO UNIVERSITY (JP) 2011-02-10 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 (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-20110206605-A1 Molecular Probe for Imaging of Pancreatic Islets and Use of the Same IAPP, NGLY1, GPR119 STS 4705/4885PPARG 2085/4885CA1 1477/4885
US-20120087863-A1 Peptide Derivative and Use of the Same VIP, IAPP, GLP1R STS 3881/4885PPARG 1571/4885CA1 2423/4885
US-20150231284-A1 MOLECULAR PROBE FOR IMAGING OF PANCREATIC ISLET AND THE PRECURSOR, AND USE OF THE SAME IAPP, PDXK, NLK STS 2724/4885PPARG 3413/4885CA1 1811/4885
US-20110033381-A1 MOLECULAR PROBE FOR IMAGING OF PANCREATIC ISLET AND THE PRECURSOR, AND USE OF THE SAME IAPP, PDXK, NLK STS 2280/4885PPARG 3986/4885CA1 1760/4885
US-20110081663-A1 Molecular Probe for Imaging of Pancreatic Islets and Use of the Same IAPP, GPR119, NPY1R STS 4336/4885PPARG 476/4885CA1 2066/4885

“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.