SCHEMBL2185396

SCHEMBL2185396

CC(C)(C)OC(=O)CN(CCN)CC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 5/20 0.35
NR1H3 Q13133 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CYP2D6 P10635 1/20 0.30
EYA2 O00167 1/20 0.30
APP P05067 1/20 0.30
ACE P12821 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
Hydrochloric Acid SCHEMBL6840742 0.98 NR1D1 (0.34) NR1D1NR1H3CA12CA1CA7
SCHEMBL8412077 0.96 NR1D1 (0.34) NR1D1NR1H3CA12CA1CA7
SCHEMBL18362362 0.96 NR1D1 (0.33) NR1D1NR1H3CA12CA1CA7
SCHEMBL2185399 0.93 TDP1 (0.43) NR1D1NR1H3CA1EYA2APP
SCHEMBL21548073 0.93 NR1D1 (0.33) NR1D1NR1H3
SCHEMBL3661157 0.89 STING1 (0.31) NR1D1NR1H3
SCHEMBL6534683 0.89 NR1D1 (0.34) NR1D1NR1H3CA12CA1CA7
SCHEMBL7801946 0.87 NR1D1 (0.33) NR1D1NR1H3
SCHEMBL17177620 0.86 TSHR (0.32) NR1D1CA12CA1CA7CA14
SCHEMBL28323579 0.86 NR1D1 (0.30) NR1D1

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-2341944-B1 CONJUGATES OF HEXOSE AND METAL COORDINATING COMPOUNDS FOR IMAGING PURPOSES CURIUM US LLC (US) 2019-06-26 EP disclosed
EP-2341944-B1 CONJUGATES OF HEXOSE AND METAL COORDINATING COMPOUNDS FOR IMAGING PURPOSES CURIUM US LLC (US) 2019-06-26 EP disclosed
US-9217009-B2 Version of FDG detectable by single-photon emission computed tomography MALLINCKRODT LLC (US) 2015-12-22 US disclosed
US-9217009-B2 Version of FDG detectable by single-photon emission computed tomography MALLINCKRODT LLC (US) 2015-12-22 US disclosed
US-9217009-B2 Version of FDG detectable by single-photon emission computed tomography MALLINCKRODT LLC (US) 2015-12-22 US disclosed
US-20140378677-A1 VERSION OF FDG DETECTABLE BY SINGLE-PHOTON EMISSION COMPUTED TOMOGRAPHY MALLINCKRODT VETERINARY, INC. 2014-12-25 US disclosed
US-20140378677-A1 VERSION OF FDG DETECTABLE BY SINGLE-PHOTON EMISSION COMPUTED TOMOGRAPHY MALLINCKRODT VETERINARY, INC. 2014-12-25 US disclosed
US-20140378677-A1 VERSION OF FDG DETECTABLE BY SINGLE-PHOTON EMISSION COMPUTED TOMOGRAPHY MALLINCKRODT VETERINARY, INC. 2014-12-25 US disclosed
US-8858916-B2 Metal chelate linked to a hexose carrier for use as a metallopharmaceutical diagnostic or therapeutic agent MALLINCKRODT LLC (US) 2014-10-14 US disclosed
US-8858916-B2 Metal chelate linked to a hexose carrier for use as a metallopharmaceutical diagnostic or therapeutic agent MALLINCKRODT LLC (US) 2014-10-14 US disclosed
US-8858916-B2 Metal chelate linked to a hexose carrier for use as a metallopharmaceutical diagnostic or therapeutic agent MALLINCKRODT LLC (US) 2014-10-14 US disclosed
US-20110177004-A1 Version of FDG Detectable by Single-Photon Emission Computed Tomography OCERA THERAPEUTICS LLC (F/K/A OCERA THERAPEUTICS, INC.) 2011-07-21 US disclosed
US-20110177004-A1 Version of FDG Detectable by Single-Photon Emission Computed Tomography OCERA THERAPEUTICS LLC (F/K/A OCERA THERAPEUTICS, INC.) 2011-07-21 US disclosed
US-20110177004-A1 Version of FDG Detectable by Single-Photon Emission Computed Tomography OCERA THERAPEUTICS LLC (F/K/A OCERA THERAPEUTICS, INC.) 2011-07-21 US disclosed
EP-2341944-A2 CONJUGATES OF HEXOSE AND METAL COORDINATING COMPOUNDS FOR IMAGING PURPOSES Mallinckrodt Inc. (US) 2011-07-13 EP disclosed
WO-2010039609-A2 A VERSION OF FDG DETECTABLE BY SINGLE-PHOTON EMISSION COMPUTED TOMOGRAPHY MALLINCKRODT INC. (US) 2010-04-08 WO disclosed
WO-2010039609-A2 A VERSION OF FDG DETECTABLE BY SINGLE-PHOTON EMISSION COMPUTED TOMOGRAPHY MALLINCKRODT INC. (US) 2010-04-08 WO disclosed
EP-0941120-A4 BRANCHED PEPTIDE LINKERS BRISTOL MYERS SQUIBB CO (US) 2004-08-18 EP disclosed
EP-0941120-A1 BRANCHED PEPTIDE LINKERS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-09-15 EP disclosed
WO-1998019705-A1 BRANCHED PEPTIDE LINKERS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-05-14 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 (2 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-20110177004-A1 Version of FDG Detectable by Single-Photon Emission Computed Tomography SLC2A1, SLC2A4, SLC2A3 NR1D1 1925/4885NR1H3 3709/4885CA12 701/4885
US-20140378677-A1 VERSION OF FDG DETECTABLE BY SINGLE-PHOTON EMISSION COMPUTED TOMOGRAPHY SLC2A1, SLC2A4, SLC2A3 NR1D1 1925/4885NR1H3 3709/4885CA12 701/4885

“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.