SCHEMBL16147201

SCHEMBL16147201

C[C@@H]([C@H](O)c1ccccc1)N(C)C(=O)CCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.67
NPY5R Q15761 10/20 0.59
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.52
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
AOC3 Q16853 1/20 0.49
NPY2R P49146 1/20 0.47
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL8728560 1.00 GAA (0.67) GAANPY5RKMT2AMEN1ALDH1A1
SCHEMBL8728663 1.00 GAA (0.67) GAANPY5RKMT2AMEN1ALDH1A1
SCHEMBL25409408 0.85 GAA (0.80) GAANPY5RALDH1A1KDM4EAOC3
SCHEMBL5804993 0.85 GAA (0.80) GAANPY5RALDH1A1KDM4EAOC3
SCHEMBL4992458 0.85 GAA (0.80) GAANPY5RALDH1A1KDM4EAOC3
SCHEMBL8153290 0.85 NPY5R (0.78) GAANPY5RALDH1A1KDM4EAOC3
SCHEMBL9067935 0.83 GAA (0.60) GAANPY5RKMT2AMEN1ALDH1A1
SCHEMBL6223855 0.81 GAA (0.74) GAANPY5RALDH1A1KDM4EAOC3
SCHEMBL3447214 0.81 GAA (0.74) GAANPY5RALDH1A1KDM4EAOC3
SCHEMBL3447213 0.81 GAA (0.74) GAANPY5RALDH1A1KDM4EAOC3

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-20180356421-A9 Small-Molecule Hydrophobic Tagging of Fusion Proteins and Induced Degradation of Same UNIV YALE (US) 2018-12-13 US disclosed
US-10145848-B2 Small-molecule hydrophobic tagging of fusion proteins and induced degradation of same YALE UNIVERSITY (US) 2018-12-04 US disclosed
US-20170307614-A1 Small-Molecule Hydrophobic Tagging of Fusion Proteins and Induced Degradation of Same UNIV YALE (US) 2017-10-26 US disclosed
US-9632089-B2 Small-molecule hydrophobic tagging of fusion proteins and induced degradation of same YALE UNIVERSITY (US) 2017-04-25 US disclosed
US-20170067874-A1 Small-Molecule Hydrophobic Tagging of Fusion Proteins and Induced Degradation of Same NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-03-09 US disclosed
US-9500653-B2 Small-molecule hydrophobic tagging of fusion proteins and induced degradation of same YALE UNIVERSITY (US) 2016-11-22 US disclosed
US-20140302523-A1 Small-Molecule Hydrophobic Tagging of Fusion Proteins and Induced Degradation of Same YALE UNIVERSITY (US) 2014-10-09 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 (4 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-20180356421-A9 Small-Molecule Hydrophobic Tagging of Fusion Proteins and Induced Degradation of Same HSP90B1, LAMP2, PSMG3 GAA 538/4885NPY5R 4732/4885KMT2A 3767/4885
US-10145848-B2 Small-molecule hydrophobic tagging of fusion proteins and induced degradation of same HSP90B1, LAMP2, PSMG3 GAA 538/4885NPY5R 4732/4885KMT2A 3767/4885
US-20170067874-A1 Small-Molecule Hydrophobic Tagging of Fusion Proteins and Induced Degradation of Same HSP90B1, LAMP2, PSMG3 GAA 532/4885NPY5R 4726/4885KMT2A 3792/4885
US-20170307614-A1 Small-Molecule Hydrophobic Tagging of Fusion Proteins and Induced Degradation of Same HSP90B1, LAMP2, PSMG3 GAA 538/4885NPY5R 4732/4885KMT2A 3767/4885

“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.