SCHEMBL3780385

SCHEMBL3780385

CC(C)(C)OC(=O)ON1C(=O)[C@H](NC(=O)O)Cc2ccc(Br)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.39
PYGM P11217 1/20 0.39
BACE1 P56817 4/20 0.36
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
XIAP P98170 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
USP30 Q70CQ3 2/20 0.35
FPR2 P25090 4/20 0.35
NPY1R P25929 1/20 0.33
RBP4 P02753 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA6 Q16445 1/20 0.32

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
SCHEMBL3774611 1.00 PYGL (0.39) PYGLPYGMBACE1ALDH1A1TSHR
SCHEMBL3773910 1.00 PYGL (0.39) PYGLPYGMBACE1ALDH1A1TSHR
SCHEMBL3773445 0.93 PYGL (0.38) PYGLPYGMBACE1ALDH1A1TSHR
SCHEMBL6832201 0.91 BACE1 (0.41) PYGLPYGMBACE1ALDH1A1TSHR
SCHEMBL6762623 0.91 BACE1 (0.41) PYGLPYGMBACE1ALDH1A1TSHR
SCHEMBL6762742 0.91 BACE1 (0.41) PYGLPYGMBACE1ALDH1A1TSHR
SCHEMBL9109650 0.84 FFAR4 (0.35) PYGLPYGMALDH1A1XIAP
SCHEMBL6763949 0.84 BACE1 (0.39) PYGLPYGMBACE1ALDH1A1TSHR
SCHEMBL3769086 0.81 AADAT (0.43) PYGLPYGMALDH1A1TSHRMEN1
SCHEMBL3777420 0.80 CCKBR (0.39) PYGLPYGM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2443092-B1 BICYCLIC AND TRICYCLIC COMPOUNDS AS KAT II INHIBITORS PFIZER (US) 2015-04-08 EP disclosed
US-8183238-B2 Bicyclic and tricyclic compounds as KAT II inhibitors PFIZER INC. (US) 2012-05-22 US disclosed
US-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors PFIZER INC 2010-12-23 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-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors KAT2A, KAT2B, KAT6B PYGL 4580/4885PYGM 4812/4885BACE1 364/4885

“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.