SCHEMBL13989366

SCHEMBL13989366

COC(=O)[C@@H](Cc1ccc(Oc2ccc(CC3C(=O)Nc4ccccc43)cc2F)cc1)NCl

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GSK3B P49841 2/20 0.40
IDO1 P14902 9/20 0.39
TDO2 P48775 4/20 0.39
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL13989353 0.91 MAPT (0.46) MAPTKDM4EGAAL3MBTL1GSK3B
SCHEMBL13989352 0.91 MAPT (0.41) MAPTKDM4EGAAL3MBTL1GSK3B
SCHEMBL13989350 0.89 MAPT (0.39) MAPTKDM4EGAAL3MBTL1GSK3B
SCHEMBL13989292 0.89 IDO1 (0.43) MAPTKDM4EGAAL3MBTL1GSK3B
SCHEMBL13989346 0.88 MAPT (0.49) MAPTKDM4EGAAL3MBTL1GSK3B
Hydrochloric Acid SCHEMBL4888629 0.88 IDO1 (0.43) MAPTKDM4EGAAL3MBTL1GSK3B
SCHEMBL13989365 0.86 MAPT (0.41) MAPTKDM4EGAAL3MBTL1GSK3B
SCHEMBL13989363 0.82 MAPT (0.41) MAPTKDM4EGAAL3MBTL1GSK3B
SCHEMBL13875580 0.81 PTPN1 (0.46) MAPTMEN1ALDH1A1HPGDKMT2A
SCHEMBL13989361 0.81 MAPT (0.39) MAPTKDM4EGAAL3MBTL1GSK3B

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.