SCHEMBL6867068

SCHEMBL6867068

CC(=O)c1cc2c(cc1O)CN(C(=O)OC(C)(C)C)CCS2

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.46
NR1H2 P55055 1/20 0.43
RYR2 Q92736 15/20 0.41
MAPK1 P28482 1/20 0.40
HDAC1 Q13547 1/20 0.37
LMNA P02545 1/20 0.35

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
SCHEMBL10074436 0.91 ESR2 (0.45) ESR2NR1H2RYR2MAPK1HDAC1
SCHEMBL8196121 0.89 RYR2 (0.39) ESR2RYR2
SCHEMBL12265359 0.86 RYR2 (0.43) ESR2NR1H2RYR2MAPK1
SCHEMBL6867859 0.85 ESR2 (0.47) ESR2NR1H2RYR2MAPK1HDAC1
SCHEMBL13622125 0.85 ESR2 (0.47) ESR2NR1H2RYR2MAPK1
SCHEMBL6867410 0.85 NR1H2 (0.49) ESR2NR1H2RYR2MAPK1HDAC1
SCHEMBL26344291 0.84 RYR2 (0.43) RYR2
SCHEMBL6866566 0.82 ESR2 (0.45) ESR2NR1H2RYR2MAPK1HDAC1
SCHEMBL25604139 0.81 ESR2 (0.49) ESR2NR1H2MAPK1HDAC1LMNA
SCHEMBL807127 0.80 ESR2 (0.65) ESR2NR1H2RYR2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230386615-A1 BINDING SITE IN TYPE 1 RYANODINE RECEPTOR THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2023-11-30 US disclosed
US-20230368862-A1 BINDING SITE IN TYPE 2 RYANODINE RECEPTOR THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2023-11-16 US disclosed
WO-2023070091-A1 A METHOD OF TREATING ESSENTIAL TREMOR BY TARGETING LEAKY RyR1 CHANNELS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-04-27 WO disclosed
EP-2764867-A1 Agents for preventing and treating disorders Involving modulation of the RYR receptors The Trustees of Columbia University in the City of New York (US) 2014-08-13 EP disclosed
US-20140187536-A1 AGENTS FOR PREVENTING AND TREATING DISORDERS INVOLVING MODULATION OF THE RYANODINE RECEPTORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-07-03 US disclosed
US-20140187536-A1 AGENTS FOR PREVENTING AND TREATING DISORDERS INVOLVING MODULATION OF THE RYANODINE RECEPTORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-07-03 US disclosed
US-8710045-B2 Agents for preventing and treating disorders involving modulation of the ryanodine receptors THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-04-29 US disclosed
US-8710045-B2 Agents for preventing and treating disorders involving modulation of the ryanodine receptors THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-04-29 US disclosed
WO-2012037105-A1 METHODS OF TREATING, AMELIORATING OR PREVENTING STRESS-INDUCED NEURONAL DISORDERS AND DISEASES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2012-03-22 WO disclosed
WO-2012019076-A1 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING CARDIAC ISCHEMIA/REPERFUSION INJURY THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2012-02-09 WO disclosed
US-7879840-B2 Ryanodine receptors (RyRs) modulators comprising 1,4-benzothiazepine derivatives, that regulate calcium channel functioning in cells, used for the treatment of cardiovascular disorders and muscular disorders THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2011-02-01 US disclosed
US-7879840-B2 Ryanodine receptors (RyRs) modulators comprising 1,4-benzothiazepine derivatives, that regulate calcium channel functioning in cells, used for the treatment of cardiovascular disorders and muscular disorders THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2011-02-01 US disclosed
US-7704990-B2 Agents for preventing and treating disorders involving modulation of the RyR receptors THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2010-04-27 US disclosed
US-7704990-B2 Agents for preventing and treating disorders involving modulation of the RyR receptors THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2010-04-27 US disclosed
EP-2177224-A2 Agents for preventing and treating disorders involving modulation of the RyR receptors The Trustees of Columbia University in the City of New York (US) 2010-04-21 EP disclosed
US-20090292119-A1 METHODS FOR SYNTHESIZING BENZOTHIAZEPINE COMPOUNDS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-11-26 US disclosed
US-20090292119-A1 METHODS FOR SYNTHESIZING BENZOTHIAZEPINE COMPOUNDS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-11-26 US disclosed
US-20070173482-A1 Agents for preventing and treating disorders involving modulation of the RyR receptors THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2007-07-26 US disclosed
WO-2007024717-A2 AGENTS FOR PREVENTING AND TREATING DISORDERS INVOLVING MODULATION OF THE RYR RECEPTORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2007-03-01 WO disclosed
US-20070049572-A1 Novel agents for preventing and treating disorders involving modulation of the RyR receptors THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2007-03-01 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-20070173482-A1 Agents for preventing and treating disorders involving modulation of the RyR receptors RYR1, RYR2, ATP2A1 ESR2 1935/4885NR1H2 262/4885RYR2 2/4885
US-20070049572-A1 Novel agents for preventing and treating disorders involving modulation of the RyR receptors RYR2, RYR1, ATP2A1 ESR2 2057/4885NR1H2 1712/4885RYR2 1/4885
US-20140187536-A1 AGENTS FOR PREVENTING AND TREATING DISORDERS INVOLVING MODULATION OF THE RYANODINE RECEPTORS RYR2, RYR1, FKBP3 ESR2 3709/4885NR1H2 941/4885RYR2 1/4885
US-20090292119-A1 METHODS FOR SYNTHESIZING BENZOTHIAZEPINE COMPOUNDS KCNB2, KCNJ2, KCNJ5 ESR2 2678/4885NR1H2 900/4885RYR2 275/4885
US-20230368862-A1 BINDING SITE IN TYPE 2 RYANODINE RECEPTOR RYR2, RYR1, ATP2A2 ESR2 770/4885NR1H2 913/4885RYR2 1/4885

“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.