SCHEMBL3765566

SCHEMBL3765566

C=C1[C@H]2CC[C@H]3[C@]4(C)C[C@H](O[C@@H]5O[C@H](CO)[C@@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]5OC(=O)CC(C)C)C[C@@H](C(=O)O)[C@H]4CC[C@]3(C2)[C@H]1O.[KH].[KH].[KH]

nearest known ligand 0.89

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.89
▸ HPSE Q9Y251 5/20 0.33

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
SCHEMBL20456989 1.00 MAPT (0.89) MAPTHPSE
SCHEMBL21046219 1.00 MAPT (0.89) MAPTHPSE
SCHEMBL15634985 0.99 MAPT (0.88) MAPTHPSE
Potassium Ion SCHEMBL28493998 0.94 MAPT (1.00) MAPTHPSE
Potassium Ion SCHEMBL380009 0.94 MAPT (1.00) MAPTHPSE
Potassium Ion SCHEMBL29767873 0.94 MAPT (1.00) MAPTHPSE
Potassium Ion SCHEMBL30190052 0.94 MAPT (1.00) MAPTHPSE
Water SCHEMBL6357796 0.94 MAPT (0.99) MAPTHPSE
SCHEMBL19255997 0.93 MAPT (0.78) MAPTHPSE
SCHEMBL25014383 0.88 MAPT (0.78) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10161929-B2 Theranostics platform and methods of use Sanford Burnham Prebys Medical Discovery (US) 2018-12-25 — — US disclosed
US-20180338899-A1 INHIBITORS FOR METHYLATION-RELATED ENZYMES HAT1 AND KAT8 MIURA NORIMASA (JP) 2018-11-29 — — US disclosed
EP-3369434-A1 INHIBITORS FOR METHYLATION-RELATED ENZYMES HAT1 AND KAT8 MIURA, Norimasa (JP) 2018-09-05 — — EP disclosed
US-10004701-B2 Methods and compositions for treating infection UNIVERSITY OF ROCHESTER (US) 2018-06-26 — — US disclosed
US-20170065540-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION UNIVERSITY OF ROCHESTER (US) 2017-03-09 — — US disclosed
US-9393221-B2 Methods and compounds for reducing intracellular lipid storage THE GENERAL HOSPITAL CORPORATION (US) 2016-07-19 — — US disclosed
US-20150238473-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-08-27 — — US disclosed
EP-2767275-A1 Nortriptyline, haloperidol or prochlorperazine edisylate for use in the treatment of tuberculosis as well as two screening methods Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2014-08-20 — — EP disclosed
WO-2013123403-A1 THERANOSTICS PLATFORM AND METHODS OF USE SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2013-08-22 — — WO disclosed
US-20130023488-A1 METHODS AND COMPOUNDS FOR REDUCING INTRACELLULAR LIPID STORAGE THE GENERAL HOSPITAL CORPORATION (US) 2013-01-24 — — US disclosed
US-20100305326-A1 Chemical Fragment Screening and Assembly Utilizing Common Chemistry for NMR Probe Introduction and Fragment Linkage MARQUETTE UNIVERSITY (US) 2010-12-02 — — US disclosed
US-20100304998-A1 Chemical Proteomic Assay for Optimizing Drug Binding to Target Proteins MARQUETTE UNIVERSITY (US) 2010-12-02 — — US disclosed
WO-1999006588-A1 A CELL-FREE SYSTEM OF MITOCHONDRIA-DEPENDENT APOPTOSIS, AND METHODS OF USE THEREOF THE BURNHAM INSTITUTE (US) 1999-02-11 — — 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-20150238473-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION MMP8, IFNG, MPO MAPT 4152/4885HPSE 392/4885
US-20100305326-A1 Chemical Fragment Screening and Assembly Utilizing Common Chemistry for NMR Probe Introduction and Fragment Linkage CYFIP2, RPS27A, FRS2 MAPT 2128/4885HPSE 2156/4885
US-20170065540-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION MMP8, IFNG, MPO MAPT 4152/4885HPSE 392/4885
US-10004701-B2 Methods and compositions for treating infection MMP8, IFNG, MPO MAPT 4152/4885HPSE 392/4885

“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.

Send feedback