SCHEMBL3781776

SCHEMBL3781776

COc1cccc(-c2ccc3c(c2)N(OC(=O)OC(C)(C)C)C(=O)C(NC(=O)OC(C)(C)C)C3)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.39
PYGL P06737 1/20 0.39
PYGM P11217 1/20 0.39
JAK2 O60674 1/20 0.38
HSD17B3 P37058 1/20 0.36
HIF1A Q16665 1/20 0.36
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
RIPK1 Q13546 1/20 0.35
ROCK2 O75116 1/20 0.35
BRD4 O60885 1/20 0.35
NR1H2 P55055 1/20 0.35
KYAT1 Q16773 1/20 0.35
KYAT3 Q6YP21 1/20 0.35
AADAT Q8N5Z0 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
NAAA Q02083 1/20 0.35
KDM1A O60341 2/20 0.35
MAOA P21397 1/20 0.35

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
SCHEMBL3777420 0.93 CCKBR (0.39) CCKBRPYGLPYGMHSD17B3EDNRB
SCHEMBL9974770 0.82 LIPG (0.39) PYGLPYGM
SCHEMBL7423564 0.81 KYAT1 (0.46) CCKBRPYGLPYGMKYAT1KYAT3
SCHEMBL6762623 0.80 BACE1 (0.41) PYGLPYGMKDM1A
SCHEMBL6762742 0.80 BACE1 (0.41) PYGLPYGMKDM1A
SCHEMBL6832201 0.80 BACE1 (0.41) PYGLPYGMKDM1A
SCHEMBL9886293 0.80 KDM1A (0.38) KYAT1KYAT3AADATKDM1A
SCHEMBL7420732 0.78 KYAT1 (0.42) CCKBRPYGLPYGMKYAT1KYAT3
SCHEMBL6762670 0.76 AADAT (0.39) CCKBRPYGLPYGMAADATKDM1A
SCHEMBL6763949 0.75 BACE1 (0.39) PYGLPYGMKDM1A

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 CCKBR 1934/4885PYGL 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.