SCHEMBL590665

SCHEMBL590665

NC(=O)c1cnc(C(=O)N(CC(O)CO)CC(O)CO)cn1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.42
ADORA3 P0DMS8 1/20 0.36
TSHR P16473 1/20 0.36
MC4R P32245 1/20 0.36
ADRA1A P35348 1/20 0.36
MC3R P41968 1/20 0.36
SCN9A Q15858 4/20 0.32
FPR2 P25090 1/20 0.32
KMT2A Q03164 1/20 0.32
ADA P00813 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
SCHEMBL7106667 0.92 KCNA5 (0.31)
SCHEMBL7650152 0.77 MLYCD (0.42)
SCHEMBL7109261 0.76 MLYCD (0.31)
SCHEMBL7107198 0.76
SCHEMBL7106490 0.76 MEN1 (0.36) KMT2A
SCHEMBL588733 0.73 SIRT6 (0.47) SIRT6ADORA3TSHRMC4RADRA1A
SCHEMBL7656251 0.72 KDM4E (0.39) TSHRSCN9AKMT2A
SCHEMBL18230701 0.72 SIRT6 (0.42) SIRT6ADORA3TSHRMC4RADRA1A
SCHEMBL2518992 0.72 SIRT6 (0.42) SIRT6ADORA3TSHRMC4RADRA1A
SCHEMBL28330006 0.71 SIRT6 (0.39) SIRT6ADORA3TSHRMC4RADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4185194-A1 SYSTEMS AND METHODS FOR HOME TRANSDERMAL ASSESSMENT OF GASTROINTESTINAL FUNCTION MediBeacon Inc. (US) 2023-05-31 EP disclosed
EP-4157072-A1 SENSOR ASSEMBLY WITH MOVABLE SKIN SENSOR MediBeacon Inc. (US) 2023-04-05 EP disclosed
WO-2021242700-A1 SENSOR ASSEMBLY WITH MOVABLE SKIN SENSOR MEDIBEACON INC. (US) 2021-12-02 WO disclosed
EP-3911217-A1 TWO PIECE SENSOR ASSEMBLY AND METHOD OF USE MediBeacon Inc. (US) 2021-11-24 EP disclosed
WO-2020149885-A1 TWO PIECE SENSOR ASSEMBLY AND METHOD OF USE MEDIBEACON INC. (US) 2020-07-23 WO disclosed
CN-110494167-A Composition and system for renal function measurement MEDIBEACON INC 2019-11-22 CN disclosed
US-20140286874-A1 Pyrazine Derivatives and Uses Thereof in Renal Monitoring MEDIBEACON, INC. 2014-09-25 US disclosed
EP-2029554-B1 PYRAZINE DERIVATIVES AND USES THEREOF IN RENAL MONITORING MEDIBEACON LLC (US) 2014-03-19 EP disclosed
US-20120100078-A1 Pyrazine Derivatives and Uses Thereof in Renal Monitoring MALLINCKRODT LLC (US) 2012-04-26 US disclosed
US-8115000-B2 Pyrazine derivatives and uses thereof in renal monitoring MALLINCKRODT LLC (US) 2012-02-14 US disclosed
EP-2376459-A1 MODIFIED PYRAZINE DERIVATIVES AND USES THEREOF Mallinckrodt LLC (US) 2011-10-19 EP disclosed
US-20110250139-A1 Modified Pyrazine Derivatives and Uses Thereof MEDIBEACON, INC. 2011-10-13 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 (3 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-20140286874-A1 Pyrazine Derivatives and Uses Thereof in Renal Monitoring CYP3A5, GLS, XDH SIRT6 1607/4885ADORA3 638/4885TSHR 1940/4885
US-20110250139-A1 Modified Pyrazine Derivatives and Uses Thereof GLS, GLS2, PLPBP SIRT6 2338/4885ADORA3 3339/4885TSHR 1031/4885
US-20120100078-A1 Pyrazine Derivatives and Uses Thereof in Renal Monitoring CYP3A5, GLS, XDH SIRT6 1607/4885ADORA3 638/4885TSHR 1940/4885

“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.