SCHEMBL108464

SCHEMBL108464

O=C(O)[C@H](O)[C@@H](O)C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
MGLL Q99685 2/20 0.36
NFKB1 P19838 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31
PARL Q9H300 1/20 0.31

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
SCHEMBL108457 1.00 TSHR (0.39) TSHRMGLLNFKB1CYP2C19ALDH1A1
SCHEMBL20404645 0.92 MGLL (0.36) MGLLPARL
SCHEMBL111364 0.92 MGLL (0.36) MGLLPARL
SCHEMBL37884 0.92 MGLL (0.36) MGLLPARL
SCHEMBL23584357 0.81 MGLL (0.32) MGLL
SCHEMBL13286374 0.81 MGLL (0.32) MGLL
SCHEMBL13286350 0.81 MGLL (0.32) MGLL
SCHEMBL4003476 0.81 MGLL (0.33) MGLL
SCHEMBL4003479 0.81 MGLL (0.33) MGLL
SCHEMBL2573222 0.79 MGLL (0.36) MGLLPARL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3351248-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS Ardelyx, Inc. (US) 2018-07-25 EP disclosed
US-20120208291-A1 METHODS AND COMPOSITIONS FOR MEASURING HIGH AFFINITY INTERACTIONS WITH KINETIC IMAGING OF SINGLE MOLECULE INTERACTION (KISMI) UNIVERISTY OF UTAH RESEARCH FOUNDATION (US) 2012-08-16 US disclosed
EP-2424971-A1 METHODS AND COMPOSITIONS FOR MEASURING HIGH AFFINITY INTERACTIONS WITH KINETIC IMAGING OF SINGLE MOLECULE INTERACTION (KISMI) University of Utah Research Foundation (US) 2012-03-07 EP disclosed
WO-2010127247-A1 METHODS AND COMPOSITIONS FOR MEASURING HIGH AFFINITY INTERACTIONS WITH KINETIC IMAGING OF SINGLE MOLECULE INTERACTION (KISMI) UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2010-11-04 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 (1 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-20120208291-A1 METHODS AND COMPOSITIONS FOR MEASURING HIGH AFFINITY INTERACTIONS WITH KINETIC IMAGING OF SINGLE MOLECULE INTERACTION (KISMI) MPI, MKI67, GDI2 TSHR 4547/4885MGLL 1656/4885NFKB1 2852/4885

“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.