SCHEMBL9108631

SCHEMBL9108631

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

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 17/20 0.68
KYAT3 Q6YP21 4/20 0.68
KYAT1 Q16773 3/20 0.68
GOT1 P17174 1/20 0.47
ABL1 P00519 2/20 0.39

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
SCHEMBL9886178 1.00 AADAT (0.68) AADATKYAT3KYAT1GOT1ABL1
SCHEMBL9108404 1.00 AADAT (0.68) AADATKYAT3KYAT1GOT1ABL1
SCHEMBL3774766 0.88 AADAT (0.67) AADATKYAT3KYAT1GOT1
SCHEMBL3771910 0.88 AADAT (0.67) AADATKYAT3KYAT1GOT1
SCHEMBL10036779 0.87 AADAT (0.50) AADATKYAT3KYAT1ABL1
SCHEMBL10036790 0.87 AADAT (0.50) AADATKYAT3KYAT1ABL1
SCHEMBL10036789 0.87 AADAT (0.50) AADATKYAT3KYAT1ABL1
SCHEMBL6763281 0.86 AADAT (0.74) AADATKYAT3KYAT1GOT1
SCHEMBL9886291 0.84 AADAT (0.47) AADATKYAT3KYAT1ABL1
SCHEMBL10067493 0.84 AADAT (0.46) AADATKYAT3KYAT1ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103228631-B Kat II inhibitors PFIZER 2015-04-29 CN disclosed
EP-2646417-A1 KAT II INHIBITORS Pfizer Inc (US) 2013-10-09 EP disclosed
CN-103228631-A Kat II inhibitors PFIZER 2013-07-31 CN disclosed
US-8487104-B2 KAT II inhibitors PFIZER INC. (US) 2013-07-16 US disclosed
US-8487104-B2 KAT II inhibitors PFIZER INC. (US) 2013-07-16 US disclosed
US-8487104-B2 KAT II inhibitors PFIZER INC. (US) 2013-07-16 US disclosed
WO-2012073146-A1 KAT II INHIBITORS PFIZER INC. (US) 2012-06-07 WO disclosed
WO-2012073146-A1 KAT II INHIBITORS PFIZER INC. (US) 2012-06-07 WO disclosed
US-20120142729-A1 KAT ll INHIBITORS PFIZER INC. 2012-06-07 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.