SCHEMBL17970109

SCHEMBL17970109

CCN1CC(NC(=O)OC(C)(C)C)C1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
BTK Q06187 1/20 0.46
CYP2C9 P11712 1/20 0.42
HSD11B1 P28845 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 2/20 0.42
DRD2 P14416 3/20 0.41
EPHX1 P07099 1/20 0.41
KCNA3 P22001 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
EPHX2 P34913 1/20 0.40
JAK1 P23458 1/20 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
SCHEMBL30080291 0.88 CTSK (0.44) CTSKCA1CA2BTKCYP2C9
SCHEMBL12321230 0.87 CTSK (0.59) CTSKCA1CA2BTKCYP2C9
SCHEMBL3942865 0.87 CTSK (0.59) CTSKCA1CA2BTKCYP2C9
SCHEMBL3544236 0.87 CTSK (0.59) CTSKCA1CA2BTKCYP2C9
SCHEMBL24690240 0.87 CTSK (0.48) CTSKCA1CA2BTKCYP2C9
SCHEMBL31048087 0.87 CTSK (0.43) CTSKCA1CA2BTKCYP2C9
SCHEMBL25085760 0.87 CTSK (0.43) CTSKCA1CA2BTKCYP2C9
SCHEMBL13016625 0.85 CTSK (0.42) CTSKCA1CA2BTKCYP2C9
SCHEMBL342772 0.85 CA1 (0.62) CTSKCA1CA2BTKCYP2C9
SCHEMBL342773 0.85 CA1 (0.62) CTSKCA1CA2BTKCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019046784-A1 COMPOUNDS AND METHODS FOR MODULATING ADENOSINE A2B RECEPTOR AND ADENOSINE A2A RECEPTOR CORVUS PHARMACEUTICALS, INC. (US) 2019-03-07 WO disclosed
EP-3050885-B1 BENZODIAZEPINE BROMODOMAIN INHIBITOR GLAXOSMITHKLINE LLC (US) 2017-10-18 EP disclosed
US-20170145021-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE LLC 2017-05-25 US disclosed
US-9481675-B2 Gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-11-01 US disclosed
EP-3050885-A1 BENZODIAZEPINE BROMODOMAIN INHIBITOR Glaxosmithkline LLC (US) 2016-08-03 EP 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-20170145021-A1 NOVEL COMPOUNDS GABRE, GABRA1, GABRA6 CTSK 3402/4885CA1 1315/4885CA2 1514/4885

“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.