SCHEMBL9109650

SCHEMBL9109650

CC(C)Oc1ccc2c(c1)N(OC(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)O)C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.35
TP53 P04637 2/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
PKM P14618 1/20 0.33
KYAT1 Q16773 1/20 0.33
KYAT3 Q6YP21 1/20 0.33
AADAT Q8N5Z0 1/20 0.33
XIAP P98170 2/20 0.33
THRB P10828 1/20 0.33
PYGL P06737 1/20 0.33
PYGM P11217 1/20 0.33
ALDH1A1 P00352 1/20 0.32
SCN9A Q15858 1/20 0.32
PTGDR Q13258 1/20 0.32
MAPT P10636 1/20 0.32
KDM1A O60341 1/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 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
SCHEMBL9886293 0.92 KDM1A (0.38) LMNAPOLBKYAT1KYAT3AADAT
SCHEMBL3773910 0.84 PYGL (0.39) XIAPPYGLPYGMALDH1A1
SCHEMBL3774611 0.84 PYGL (0.39) XIAPPYGLPYGMALDH1A1
SCHEMBL3780385 0.84 PYGL (0.39) XIAPPYGLPYGMALDH1A1
SCHEMBL3777420 0.80 CCKBR (0.39) KYAT1KYAT3AADATPYGLPYGM
SCHEMBL3773445 0.79 PYGL (0.38) PYGLPYGMALDH1A1
SCHEMBL3769086 0.78 AADAT (0.43) TP53AADATPYGLPYGMALDH1A1
SCHEMBL6832201 0.76 BACE1 (0.41) PYGLPYGMALDH1A1KDM1ANPC1
SCHEMBL6762623 0.76 BACE1 (0.41) PYGLPYGMALDH1A1KDM1ANPC1
SCHEMBL6762742 0.76 BACE1 (0.41) PYGLPYGMALDH1A1KDM1ANPC1

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-8487104-B2 KAT II inhibitors PFIZER INC. (US) 2013-07-16 US disclosed
US-20120142729-A1 KAT ll INHIBITORS PFIZER INC. 2012-06-07 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-20120142729-A1 KAT ll INHIBITORS KAT7, KAT2A, KATNA1 FFAR4 4615/4885TP53 2419/4885LMNA 3207/4885

“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.