SCHEMBL6923478

SCHEMBL6923478

CCOC(=O)CNC(C)(C)CNC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.46
ALDH1A1 P00352 5/20 0.45
TSHR P16473 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CTSK P43235 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 2/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
PPID Q08752 1/20 0.36
CA12 O43570 2/20 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
SCHEMBL1441586 0.85 CA12 (0.49) GAAALDH1A1TSHRMEN1KMT2A
SCHEMBL1936376 0.85 ALDH1A1 (0.52) GAAALDH1A1TSHRMEN1KMT2A
SCHEMBL6355605 0.82 GAA (0.54) GAAALDH1A1TSHRMEN1KMT2A
SCHEMBL1441747 0.82 MEN1 (0.45) GAAALDH1A1TSHRMEN1KMT2A
SCHEMBL21257606 0.80 ALDH1A1 (0.44) GAAALDH1A1TSHRMEN1KMT2A
SCHEMBL13314042 0.80 TDP1 (0.44) GAAALDH1A1TSHRMEN1KMT2A
SCHEMBL2052655 0.79 GAA (0.42) GAAALDH1A1TSHRMEN1KMT2A
SCHEMBL22971370 0.79 MEN1 (0.51) GAAALDH1A1TSHRMEN1KMT2A
SCHEMBL25827367 0.78 GAA (0.58) GAAALDH1A1TSHRMEN1KMT2A
SCHEMBL17035399 0.78 MEN1 (0.44) GAAALDH1A1TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190055204-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2019-02-21 US disclosed
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-11-27 US disclosed
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-11-27 US disclosed
US-8772301-B2 Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof SUNOVION PHARMACEUTICALS, INC. (US) 2014-07-08 US disclosed
US-8772301-B2 Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof SUNOVION PHARMACEUTICALS, INC. (US) 2014-07-08 US disclosed
US-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-12-29 US disclosed
US-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-12-29 US disclosed
WO-2011075699-A2 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2011-06-23 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 (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-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof GRM5, GRM2, GRM1 GAA 1294/4885ALDH1A1 1721/4885TSHR 1410/4885
US-20190055204-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 GAA 1294/4885ALDH1A1 1721/4885TSHR 1410/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 GAA 1294/4885ALDH1A1 1721/4885TSHR 1410/4885

“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.