SCHEMBL3931362

SCHEMBL3931362

CC(C)(C)COC(=O)N1CCC(O)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
THRB P10828 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GPR119 Q8TDV5 2/20 0.41
NOS3 P29474 1/20 0.40
NOS2 P35228 1/20 0.40
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CHRM1 P11229 1/20 0.39
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MMP13 P45452 1/20 0.36
PKM P14618 1/20 0.36
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HSP90AA1 P07900 1/20 0.36

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
SCHEMBL26704165 0.90 DPP4 (0.41) GAATHRBATML3MBTL1GPR119
SCHEMBL27930881 0.90 DPP4 (0.41) GAATHRBATML3MBTL1GPR119
SCHEMBL8921752 0.86 ALDH1A1 (0.46) GAATHRBATML3MBTL1GPR119
SCHEMBL16591623 0.84 CYP2D6 (0.45) GAATHRBATML3MBTL1GPR119
SCHEMBL10089208 0.83 GAA (0.46) GAATHRBATML3MBTL1GPR119
SCHEMBL26704173 0.81 NR1H2 (0.37) GAAGPR119ALDH1A1CHRM1TSHR
SCHEMBL13517101 0.81 GAA (0.41) GAATHRBATML3MBTL1GPR119
SCHEMBL26228145 0.81 GAA (0.45) GAATHRBATML3MBTL1GPR119
SCHEMBL13328507 0.81 TSHR (0.41) GAATHRBATML3MBTL1GPR119
SCHEMBL1219954 0.81 GAA (0.65) GAATHRBATML3MBTL1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348454-A1 COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION 2023-11-02 US disclosed
US-20230348454-A1 COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION 2023-11-02 US disclosed
US-8222261-B2 Chemical compounds GlaxoSmithKline, LLC (US) 2012-07-17 US disclosed
US-20090318477-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2009-12-24 US disclosed
EP-2043744-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2009-04-08 EP disclosed
WO-2008008895-A1 GPR119 AGONISTS FOR THE TREATMENT OF DIABETES AND RELATED DISORDERS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-17 WO disclosed
WO-2008008887-A2 GPR119 AGONISTS FOR TREATING METABOLIC DISORDERS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-17 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-20090318477-A1 CHEMICAL COMPOUNDS GPR119, GOT2, SLC5A2 GAA 185/4885THRB 1148/4885ATM 2677/4885
US-20230348454-A1 COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE BPGM, PGAM1, HBG1 GAA 8/4885THRB 3006/4885ATM 1674/4885

“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.