SCHEMBL805146

SCHEMBL805146

CCOP(C)(=O)CC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
PPARD Q03181 2/20 0.32
TP53 P04637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL234057 0.82 TSHR (0.43) TSHRPPARDTP53TDP1CA12
SCHEMBL25582825 0.79 TSHR (0.35) TSHRPPARDTP53TDP1CA12
SCHEMBL12405369 0.78 POLB (0.40) TSHRPPARDTP53TDP1CA12
SCHEMBL4402992 0.78 MGAM (0.46) TSHRPPARDTP53TDP1CYP3A4
SCHEMBL799524 0.77 DGAT1 (0.33) TDP1CA12CA2L3MBTL1
SCHEMBL10389565 0.75 TSHR (0.40) TSHRPPARDTP53TDP1CA12
SCHEMBL28160941 0.74 L3MBTL1 (0.33) CA12CA1CA2L3MBTL1
SCHEMBL13992775 0.73 KDM4E (0.38)
SCHEMBL11913313 0.73 TDP1 (0.44) TSHRPPARDTP53TDP1CA12
SCHEMBL2198384 0.73 MEN1 (0.40) TSHRTDP1CA12CA2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018111-A1 ALPHA, BETA UNSATURATED METHACRYLIC ESTERS WITH ANTI-INFLAMMATORY PROPERTIES SITRYX THERAPEUTICS LIMITED (GB) 2024-01-18 US disclosed
US-20230399314-A1 CD73 INHIBITOR AND USE THEREOF Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2023-12-14 US disclosed
US-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES SITRYX THERAPEUTICS LIMITED (GB) 2023-07-13 US disclosed
US-9889122-B2 Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2018-02-13 US disclosed
US-20170197960-A1 ATX MODULATING AGENTS BIOGEN MA INC. 2017-07-13 US disclosed
US-20170079967-A1 New Positive Allosteric Modulators or Nicotinic Acetylcholine Receptor H. LUNDBECK A/S (DK) 2017-03-23 US disclosed
US-9549919-B2 Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2017-01-24 US disclosed
US-20150315130-A1 New positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2015-11-05 US disclosed
US-20150231121-A1 POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR H. LUNDBECK A/S (DK) 2015-08-20 US disclosed
US-9050327-B2 Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2015-06-09 US disclosed
US-20140044806-A1 NEW POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR H. LUNDBECK A/S (DK) 2014-02-13 US disclosed
US-8426414-B2 Modulators of G protein-coupled receptor 88 BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-23 US disclosed
US-20130012530-A1 New Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2013-01-10 US disclosed
US-20120071651-A1 Processes for Preparing 1,2-Substituted Cyclopropyl Derivatives ABBOTT LABORATORIES (US) 2012-03-22 US disclosed
US-20110251204-A1 Modulators of G Protein-Coupled Receptor 88 Bristol-Myers Squibb Company and Lexicon Pharmaceuticals, 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 (11 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-20230399314-A1 CD73 INHIBITOR AND USE THEREOF ENTPD5, ENTPD1, NT5E TSHR 2133/4885PPARD 4108/4885TP53 1978/4885
US-20150315130-A1 New positive allosteric modulators of nicotinic acetylcholine receptor CHRNG, CHRNA7, CHRNA1 TSHR 325/4885PPARD 238/4885TP53 3711/4885
US-20140044806-A1 NEW POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR CHRNG, CHRNA7, CHRNA1 TSHR 325/4885PPARD 238/4885TP53 3711/4885
US-20110251204-A1 Modulators of G Protein-Coupled Receptor 88 GPR88, GPR68, GRK2 TSHR 488/4885PPARD 960/4885TP53 4352/4885
US-20130012530-A1 New Positive allosteric modulators of nicotinic acetylcholine receptor CHRNG, CHRNA7, CHRNA1 TSHR 325/4885PPARD 238/4885TP53 3711/4885
US-20170197960-A1 ATX MODULATING AGENTS ENPP2, ATXN10, ATXN2 TSHR 767/4885PPARD 4616/4885TP53 4849/4885
US-20150231121-A1 POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR CHRNG, CHRNA7, CHRNA2 TSHR 321/4885PPARD 239/4885TP53 3464/4885
US-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES CPA2, RO60, C5AR1 TSHR 3550/4885PPARD 1017/4885TP53 2221/4885
US-20170079967-A1 New Positive Allosteric Modulators or Nicotinic Acetylcholine Receptor CHRNG, CHRNA7, CHRNA1 TSHR 295/4885PPARD 218/4885TP53 3530/4885
US-20120071651-A1 Processes for Preparing 1,2-Substituted Cyclopropyl Derivatives HRH3, HRH4, HRH1 TSHR 736/4885PPARD 3549/4885TP53 4035/4885
US-20240018111-A1 ALPHA, BETA UNSATURATED METHACRYLIC ESTERS WITH ANTI-INFLAMMATORY PROPERTIES PTGS1, PTGER1, PTGES2 TSHR 3299/4885PPARD 702/4885TP53 4413/4885

“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.