SCHEMBL13989293

SCHEMBL13989293

COC(=O)[C@H](N)Cc1ccc(Oc2ccc(CC3C(=O)Nc4ccccc43)c(Cl)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 9/20 0.43
TDO2 P48775 4/20 0.41
MAPT P10636 4/20 0.41
GSK3B P49841 2/20 0.41
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTGS2 P35354 1/20 0.38
TP53 P04637 1/20 0.35

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
Hydrochloric Acid SCHEMBL4885986 0.99 IDO1 (0.43) IDO1TDO2MAPTGSK3BKDM4E
SCHEMBL13989291 0.90 IDO1 (0.43) IDO1TDO2MAPTGSK3BKDM4E
SCHEMBL13989363 0.90 MAPT (0.41) IDO1TDO2MAPTGSK3BKDM4E
Hydrochloric Acid SCHEMBL4880743 0.89 IDO1 (0.43) IDO1TDO2MAPTGSK3BKDM4E
SCHEMBL13989282 0.88 GSK3B (0.53) IDO1TDO2MAPTGSK3BKDM4E
SCHEMBL13989290 0.87 IDO1 (0.42) IDO1TDO2MAPTGSK3BKDM4E
Hydrochloric Acid SCHEMBL4883961 0.87 GSK3B (0.52) IDO1TDO2MAPTGSK3BKDM4E
Hydrochloric Acid SCHEMBL4886510 0.87 IDO1 (0.41) IDO1TDO2MAPTGSK3BKDM4E
SCHEMBL13989295 0.86 IDO1 (0.43) IDO1TDO2MAPTGSK3BKDM4E
Hydrochloric Acid SCHEMBL4879602 0.85 IDO1 (0.43) IDO1TDO2MAPTGSK3BKDM4E

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-20080319031-A1 Novel Tyrosine Derivatives ORCHID CHEMICALS & PHARMACEUTICALS LIMITED 2008-12-25 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-20080319031-A1 Novel Tyrosine Derivatives ABL1, LCK, TYRO3 IDO1 197/4885TDO2 156/4885MAPT 2196/4885

“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.