SCHEMBL13989352

SCHEMBL13989352

COC(=O)[C@@H](Cc1ccc(Oc2ccc(CC3C(=O)Nc4ccccc43)cc2Cl)cc1)NCl

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GSK3B P49841 2/20 0.41
IDO1 P14902 7/20 0.39
TDO2 P48775 3/20 0.39
FFAR1 O14842 3/20 0.37

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
SCHEMBL13989353 0.92 MAPT (0.46) MAPTKDM4EGAAL3MBTL1GSK3B
SCHEMBL13989366 0.91 MAPT (0.41) MAPTKDM4EGAAL3MBTL1GSK3B
SCHEMBL13989295 0.90 IDO1 (0.43) MAPTKDM4EGAAL3MBTL1GSK3B
SCHEMBL13989346 0.89 MAPT (0.49) MAPTKDM4EGAAL3MBTL1GSK3B
Hydrochloric Acid SCHEMBL4879602 0.89 IDO1 (0.43) MAPTKDM4EGAAL3MBTL1GSK3B
SCHEMBL13989350 0.88 MAPT (0.39) MAPTKDM4EGAAL3MBTL1GSK3B
SCHEMBL13989363 0.86 MAPT (0.41) MAPTKDM4EGAAL3MBTL1GSK3B
SCHEMBL13989365 0.82 MAPT (0.41) MAPTKDM4EGAAL3MBTL1GSK3B
SCHEMBL13989294 0.81 MAPT (0.47) MAPTKDM4EGAAL3MBTL1GSK3B
SCHEMBL13875697 0.80 ALDH1A1 (0.51) MAPTFFAR1

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 MAPT 2196/4885KDM4E 692/4885GAA 533/4885

“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.