SCHEMBL3344614

SCHEMBL3344614

CCC(C)OC(=O)C(Br)(Br)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.32
TP53 P04637 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
SCHEMBL3353497 0.82 MAPT (0.36) MAPTL3MBTL1TP53NPSR1
SCHEMBL31567504 0.81 MAPT (0.37) MAPTL3MBTL1TP53
SCHEMBL15738047 0.81 MAPT (0.36) MAPTL3MBTL1
SCHEMBL15802703 0.79 MAPT (0.36) MAPTL3MBTL1TP53NPSR1
SCHEMBL12539265 0.78 MMP8 (0.36) MAPT
SCHEMBL543811 0.78 MAPT (0.35) MAPTL3MBTL1TP53
SCHEMBL3371032 0.78 MAPT (0.35) MAPTNPSR1
SCHEMBL3531184 0.76 MAPT (0.34) MAPT
SCHEMBL3370002 0.76 MAPT (0.34) MAPT
SCHEMBL18489636 0.76 MAPT (0.34) MAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160411-A1 BENZOXATHIINE AND BENZOXATHIOLE DERIVATIVES AND USES THEREOF WYETH (US) 2010-06-24 US disclosed
WO-2008052078-A2 BENZOXATHIINE AND BENZOXATHIOLE DERIVATIVES AND USES THEREOF WYETH (US) 2008-05-02 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 (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-20100160411-A1 BENZOXATHIINE AND BENZOXATHIOLE DERIVATIVES AND USES THEREOF HTR2C, HTR3B, HTR1A MAPT 2428/4885L3MBTL1 3630/4885TP53 4430/4885

“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.