SCHEMBL2680448

SCHEMBL2680448

CCOC(=O)c1cc(C#N)c(Sc2c(Cl)cncc2Cl)s1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 15/20 0.56
USP47 Q96K76 11/20 0.56
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CDC7 O00311 1/20 0.39
DBF4 Q9UBU7 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPK14 Q16539 1/20 0.36

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
SCHEMBL2680877 0.82 USP7 (0.60) USP7USP47
SCHEMBL2680847 0.79 USP7 (0.72) USP7USP47
SCHEMBL742310 0.78 L3MBTL1 (0.50) USP7GAAL3MBTL1KDM4EHSD17B10
SCHEMBL1514324 0.75 KDM4E (0.45) GAAL3MBTL1KDM4EHSD17B10
SCHEMBL2681570 0.74 FNTA (0.53) L3MBTL1
SCHEMBL18430426 0.72 KDM4E (0.47) GAAL3MBTL1KDM4EHSD17B10
SCHEMBL2680738 0.72 USP7 (1.00) USP7USP47
SCHEMBL2682151 0.72 USP7 (0.70) USP7USP47
SCHEMBL2681344 0.71 USP7 (1.00) USP7USP47
SCHEMBL12650326 0.70 KDM4E (0.45) GAAL3MBTL1KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680139-B2 Anti-neoplastic compounds, compositions and methods PROGENRA (US) 2014-03-25 US disclosed
US-20120114765-A1 ANTI-NEOPLASTIC COMPOUNDS, COMPOSITIONS AND METHODS PROGENRA 2012-05-10 US disclosed
WO-2010114881-A1 ANTI-NEOPLASTIC COMPOUNDS, COMPOSITIONS AND METHODS PROGENRA INC. (US) 2010-10-07 WO 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-20120114765-A1 ANTI-NEOPLASTIC COMPOUNDS, COMPOSITIONS AND METHODS SERPINB1, TP53, CTSE USP7 437/4885USP47 315/4885GAA 274/4885

“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.