SCHEMBL5196487

SCHEMBL5196487

COC(=O)[C@@H](N)[C@H](C)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.54
SLC1A2 P43004 2/20 0.54
SLC1A1 P43005 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
LTA4H P09960 3/20 0.48
MMP9 P14780 2/20 0.47
MMP8 P22894 2/20 0.47
ALDH1A1 P00352 3/20 0.46
SLC15A1 P46059 1/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RCE1 Q9Y256 1/20 0.45
ANPEP P15144 1/20 0.43
THRB P10828 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL27818355 1.00 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL1631290 1.00 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL1631287 1.00 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL6232180 0.98 SLC1A3 (0.53) SLC1A3SLC1A2SLC1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL30751687 0.98 SLC1A3 (0.53) SLC1A3SLC1A2SLC1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL6232177 0.98 SLC1A3 (0.53) SLC1A3SLC1A2SLC1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL6396386 0.98 SLC1A3 (0.53) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL5196444 0.89 SLC1A3 (0.55) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL5196443 0.89 SLC1A3 (0.55) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL19853299 0.89 SLC1A3 (0.55) SLC1A3SLC1A2SLC1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230121337-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. 2023-04-20 US disclosed
WO-2022272106-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2022-12-29 WO disclosed
US-20070249670-A1 Glycogen Phosphorylase Inhibitor Compounds and Pharmaceutical Compositions Thereof SMITHKLINE BEECHAM CORPORATION (US) 2007-10-25 US disclosed
EP-1812383-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF Smithkline Beecham Corporation (US) 2007-08-01 EP disclosed
WO-2006052722-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2006-05-18 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-20070249670-A1 Glycogen Phosphorylase Inhibitor Compounds and Pharmaceutical Compositions Thereof PYGM, PYGL, GYS1 SLC1A3 4295/4885SLC1A2 4442/4885SLC1A1 4214/4885
US-20230121337-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CDK2, CDK20, CDK2AP2 SLC1A3 4726/4885SLC1A2 4532/4885SLC1A1 4777/4885

“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.