SCHEMBL6763949

SCHEMBL6763949

CC(C)(C)OC(=O)N[C@H]1Cc2cc(Br)ccc2N(OC(=O)OC(C)(C)C)C1=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.39
PYGL P06737 1/20 0.38
PYGM P11217 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.36
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
KDM1A O60341 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
USP30 Q70CQ3 1/20 0.34
FPR2 P25090 2/20 0.34
BCL2 P10415 1/20 0.34
BECN1 Q14457 1/20 0.34
NPY1R P25929 1/20 0.34
RORC P51449 1/20 0.33

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
SCHEMBL6832201 0.93 BACE1 (0.41) BACE1PYGLPYGMALDH1A1TSHR
SCHEMBL6762623 0.93 BACE1 (0.41) BACE1PYGLPYGMALDH1A1TSHR
SCHEMBL6762742 0.93 BACE1 (0.41) BACE1PYGLPYGMALDH1A1TSHR
SCHEMBL3773445 0.92 PYGL (0.38) BACE1PYGLPYGMALDH1A1TSHR
SCHEMBL6762670 0.88 AADAT (0.39) PYGLPYGMMEN1KMT2AGAA
SCHEMBL3773910 0.84 PYGL (0.39) BACE1PYGLPYGMALDH1A1TSHR
SCHEMBL3780385 0.84 PYGL (0.39) BACE1PYGLPYGMALDH1A1TSHR
SCHEMBL3774611 0.84 PYGL (0.39) BACE1PYGLPYGMALDH1A1TSHR
SCHEMBL6763129 0.82 KMT2A (0.42) KMT2AUSP30NPY1R
SCHEMBL10207849 0.80 BACE1 (0.41) BACE1PYGLPYGMGAANFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183238-B2 Bicyclic and tricyclic compounds as KAT II inhibitors PFIZER INC. (US) 2012-05-22 US 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
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 BACE1 364/4885PYGL 4580/4885PYGM 4812/4885

“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.