SCHEMBL830041

SCHEMBL830041

C=C(C)C(=O)NCCCNCc1c2ccccc2c(CNCCC(=O)OC(C)(C)C)c2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 4/20 0.36
SLC2A1 P11166 2/20 0.35
CYP3A4 P08684 1/20 0.34
CTSK P43235 2/20 0.33
BCHE P06276 1/20 0.33
CHRM2 P08172 1/20 0.33
ACHE P22303 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32

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
SCHEMBL12591424 0.86 SLC2A1 (0.41) SLC2A1CA1CA2SIGMAR1
SCHEMBL13004267 0.85 TGM2 (0.39) S1PR5SLC2A1CYP3A4
SCHEMBL3243656 0.85 S1PR5 (0.43) S1PR5SLC2A1CA1
SCHEMBL13060489 0.84 S1PR5 (0.46) S1PR5SLC2A1HDAC3HDAC4HDAC1
SCHEMBL16472161 0.82 EGFR (0.38) S1PR5SLC2A1
SCHEMBL22236308 0.80 CA12 (0.39) SLC2A1CA1CA2
SCHEMBL14176740 0.80 S1PR5 (0.43) S1PR5SLC2A1CTSKHDAC3HDAC1
SCHEMBL20320275 0.79 SLC2A1 (0.39) S1PR5SLC2A1CA1CA2SIGMAR1
SCHEMBL31514815 0.79 SLC2A1 (0.39) S1PR5SLC2A1CA1CA2SIGMAR1
SCHEMBL1506805 0.79 ALDH1A1 (0.38) S1PR5SLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2099807-B1 OXIDATION RESISTANT INDICATOR MOLECULES SENSEONICS INC (US) 2014-01-01 EP disclosed
US-8143068-B2 Oxidation resistant indicator molecules SENSORS FOR MEDICINE AND SCIENCE, INC. (US) 2012-03-27 US disclosed
US-8143068-B2 Oxidation resistant indicator molecules SENSORS FOR MEDICINE AND SCIENCE, INC. (US) 2012-03-27 US disclosed
US-8143068-B2 Oxidation resistant indicator molecules SENSORS FOR MEDICINE AND SCIENCE, INC. (US) 2012-03-27 US disclosed
US-20110081727-A1 Oxidation Resistant Indicator Molecules SENSORS FOR MEDICINE AND SCIENCE, INC. (US) 2011-04-07 US disclosed
US-20110081727-A1 Oxidation Resistant Indicator Molecules SENSORS FOR MEDICINE AND SCIENCE, INC. (US) 2011-04-07 US disclosed
US-20110081727-A1 Oxidation Resistant Indicator Molecules SENSORS FOR MEDICINE AND SCIENCE, INC. (US) 2011-04-07 US disclosed
US-7851225-B2 Oxidation resistant indicator molecules SENSORS FOR MEDICINE AND SCIENCE, INC. (US) 2010-12-14 US disclosed
US-7851225-B2 Oxidation resistant indicator molecules SENSORS FOR MEDICINE AND SCIENCE, INC. (US) 2010-12-14 US disclosed
US-7851225-B2 Oxidation resistant indicator molecules SENSORS FOR MEDICINE AND SCIENCE, INC. (US) 2010-12-14 US disclosed
EP-1490359-B1 DETECTION OF GLUCOSE IN SOLUTIONS ALSO CONTAINING AN ALPHA-HYDROXY ACID OR A BETA-DIKETONE SENSORS FOR MED & SCIENCE INC (US) 2010-05-19 EP disclosed
EP-2099807-A2 OXIDATION RESISTANT INDICATOR MOLECULES Sensors For Medicine And Science, Inc. (US) 2009-09-16 EP disclosed
US-20080145944-A1 OXIDATION RESISTANT INDICATOR MOLECULES SENSORS FOR MEDICINE AND SCIENCE, INC. (US) 2008-06-19 US disclosed
US-20080145944-A1 OXIDATION RESISTANT INDICATOR MOLECULES SENSORS FOR MEDICINE AND SCIENCE, INC. (US) 2008-06-19 US disclosed
US-20080145944-A1 OXIDATION RESISTANT INDICATOR MOLECULES SENSORS FOR MEDICINE AND SCIENCE, INC. (US) 2008-06-19 US disclosed
WO-2008066921-A2 OXIDATION RESISTANT INDICATOR MOLECULES SENSORS FOR MEDICINE AND SCIENCE, INC. (US) 2008-06-05 WO disclosed
US-7078554-B2 Detection of glucose in solutions also containing an alpha-hydroxy acid or a beta-diketone SENSORS FOR MEDICINE AND SCIENCE, INC. (US) 2006-07-18 US disclosed
US-20050043275-A1 Detection of glucose in solutions also containing an alpha-hydroxy acid or a beta-diketone SENSEONICS, INCORPORATED 2005-02-24 US disclosed
US-6800451-B2 MORE STABLE REACTION OF GLUCOSE WITH A BORONIC ACID COMPOUND SUCH AS 9,10-BISN-(BORONOBENZYL)-N-(3-(METHYACRYLAMIDO) PROPYLAMINO)METHYLANTHRACENE SENSORS FOR MEDICINE AND SCIENCE, INC. 2004-10-05 US disclosed
US-20030082663-A1 Detection of glucose in solutions also containing an alpha-hydroxy acid or a beta-diketone SENSORS FOR MEDICINE AND SCIENCE, INC. 2003-05-01 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 (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-20050043275-A1 Detection of glucose in solutions also containing an alpha-hydroxy acid or a beta-diketone GCK, KHK, HK1 S1PR5 3323/4885SLC2A1 19/4885CYP3A4 748/4885
US-20110081727-A1 Oxidation Resistant Indicator Molecules AOX1, GPX4, SQOR S1PR5 4801/4885SLC2A1 701/4885CYP3A4 393/4885
US-20080145944-A1 OXIDATION RESISTANT INDICATOR MOLECULES AOX1, GPX4, SQOR S1PR5 4801/4885SLC2A1 701/4885CYP3A4 393/4885

“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.