SCHEMBL3182749

SCHEMBL3182749

COc1ccc(C2(c3ccc(OC(=O)C(C)NC(=O)OC(C)(C)C)cc3)C(=O)Nc3c2ccc(F)c3F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 3/20 0.42
GAA P10253 2/20 0.42
GLA P06280 1/20 0.42
EPHX2 P34913 1/20 0.37
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
MMP8 P22894 2/20 0.33
MMP3 P08254 1/20 0.33
ALDH1A1 P00352 3/20 0.33
ABCB1 P08183 2/20 0.33
SRC P12931 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HTT P42858 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
CACNA1B Q00975 1/20 0.31
TRPA1 O75762 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL3182757 1.00 MAPT (0.42) MAPTKDM4EHPGDGAAGLA
SCHEMBL13484211 0.96 MAPT (0.45) MAPTKDM4EHPGDGAAGLA
SCHEMBL13484210 0.89 NPSR1 (0.38) MAPTKDM4EHPGDGAAGLA
SCHEMBL13191358 0.87 MAPT (0.39) MAPTKDM4EHPGDGAAGLA
Hydrochloric Acid SCHEMBL3208085 0.81 MAPT (0.38) MAPTGAAMEN1KMT2AHTT
Hydrochloric Acid SCHEMBL3208081 0.81 MAPT (0.38) MAPTGAAMEN1KMT2AHTT
SCHEMBL13484212 0.80 EPHX2 (0.38) MAPTKDM4EHPGDGAAGLA
SCHEMBL3198828 0.79 EPHX2 (0.44) EPHX2CTSL
SCHEMBL13191092 0.79 TRPA1 (0.35) MAPTKDM4EHPGDGAAGLA
SCHEMBL13484213 0.78 MAPT (0.34) MAPT

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-20100029646-A1 PRODRUGS OF DIPHENYL OX-INDOL-2-ONE COMPOUNDS TOPO TARGET A/S (DK) 2010-02-04 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-20100029646-A1 PRODRUGS OF DIPHENYL OX-INDOL-2-ONE COMPOUNDS IDO1, IDO2, TDO2 MAPT 3865/4885KDM4E 1844/4885HPGD 114/4885

“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.