SCHEMBL10036779

SCHEMBL10036779

COC[C@H](C)Oc1ccc2c(c1)N(O)C(=O)C(C)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 6/20 0.50
KYAT3 Q6YP21 3/20 0.50
KYAT1 Q16773 2/20 0.50
ABL1 P00519 2/20 0.40
PRKAB2 O43741 2/20 0.36
PRKAG1 P54619 2/20 0.36
PRKAA2 P54646 2/20 0.36
PRKAA1 Q13131 2/20 0.36
PRKAG3 Q9UGI9 2/20 0.36
PRKAG2 Q9UGJ0 2/20 0.36
PRKAB1 Q9Y478 2/20 0.36
ACHE P22303 1/20 0.36
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
LRRK2 Q5S007 4/20 0.33
GCK P35557 1/20 0.33
KCNH2 Q12809 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
SCHEMBL10036789 1.00 AADAT (0.50) AADATKYAT3KYAT1ABL1PRKAB2
SCHEMBL10036790 1.00 AADAT (0.50) AADATKYAT3KYAT1ABL1PRKAB2
SCHEMBL9108631 0.87 AADAT (0.68) AADATKYAT3KYAT1ABL1
SCHEMBL9108404 0.87 AADAT (0.68) AADATKYAT3KYAT1ABL1
SCHEMBL9886178 0.87 AADAT (0.68) AADATKYAT3KYAT1ABL1
SCHEMBL9886291 0.85 AADAT (0.47) AADATKYAT3KYAT1ABL1PRKAB2
SCHEMBL10067493 0.84 AADAT (0.46) AADATKYAT3KYAT1ABL1PRKAB2
SCHEMBL9236537 0.84 AADAT (0.46) AADATKYAT3KYAT1ABL1PRKAB2
SCHEMBL10036788 0.82 AADAT (0.53) AADATKYAT3KYAT1ACHE
SCHEMBL10036777 0.82 AADAT (0.53) AADATKYAT3KYAT1ACHE

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 AADAT 1043/4885KYAT3 90/4885KYAT1 46/4885

“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.