SCHEMBL5417856

SCHEMBL5417856

COC(=O)[C@H](CCNC(=O)OC(C)(C)C)NC(=O)c1cc2ccccc2cc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 6/20 0.41
TDP1 Q9NUW8 3/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
KCNA5 P22460 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PAX8 Q06710 1/20 0.40
ATM Q13315 1/20 0.40
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
KLK5 Q9Y337 1/20 0.40
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
KDM4A O75164 1/20 0.39
KDR P35968 1/20 0.39
TAS1R3 Q7RTX0 4/20 0.39
TAS1R1 Q7RTX1 4/20 0.39
NQO2 P16083 1/20 0.39

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
SCHEMBL5195109 0.91 PYGL (0.45) NPSR1TDP1MAPTMEN1KMT2A
SCHEMBL5420293 0.85 PYGL (0.48) KMT2AKDRTAS1R3TAS1R1
SCHEMBL5420297 0.85 PYGL (0.48) KMT2AKDRTAS1R3TAS1R1
SCHEMBL5416800 0.84 TDP1 (0.40) NPSR1TDP1MAPTMEN1KMT2A
SCHEMBL12708216 0.82 KCNA5 (0.46) NPSR1TDP1MAPTMEN1KMT2A
SCHEMBL5218743 0.81 TAS1R3 (0.48) KMT2AKDRTAS1R3TAS1R1
SCHEMBL5417140 0.81 PYGL (0.50) MEN1KMT2AALDH1A1KDM4EKDR
SCHEMBL18878470 0.80 CA1 (0.49) NPSR1TDP1MAPTMEN1KMT2A
SCHEMBL5214636 0.80 TAS1R3 (0.49) TDP1KMT2AKDRTAS1R3TAS1R1
SCHEMBL5214631 0.80 TAS1R3 (0.49) TDP1KMT2AKDRTAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249670-A1 Glycogen Phosphorylase Inhibitor Compounds and Pharmaceutical Compositions Thereof SMITHKLINE BEECHAM CORPORATION (US) 2007-10-25 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 (1 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-20070249670-A1 Glycogen Phosphorylase Inhibitor Compounds and Pharmaceutical Compositions Thereof PYGM, PYGL, GYS1 NPSR1 4240/4885TDP1 1010/4885MAPT 1171/4885

“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.