SCHEMBL10166308

SCHEMBL10166308

CC(C)(C)OC(=O)N1CCc2c(Cl)nc(C(F)(F)F)nc2C1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.45
TNKS2 Q9H2K2 1/20 0.45
PARP2 Q9UGN5 1/20 0.45
ESR2 Q92731 1/20 0.42
ADORA1 P30542 2/20 0.41
MAPT P10636 3/20 0.40
P2RX7 Q99572 1/20 0.39
MTOR P42345 1/20 0.39
NR1H2 P55055 1/20 0.39
RAF1 P04049 1/20 0.38
BRAF P15056 1/20 0.38
MKNK1 Q9BUB5 3/20 0.38
POLB P06746 1/20 0.37
CYP8B1 Q9UNU6 1/20 0.37
P2RX3 P56373 1/20 0.37
F12 P00748 1/20 0.36
KDM4E B2RXH2 1/20 0.36
DPP4 P27487 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
SCHEMBL9951661 0.87 PARP1 (0.45) PARP1TNKS2PARP2ESR2ADORA1
SCHEMBL1262716 0.87 DPP4 (0.46) PARP1TNKS2PARP2ESR2ADORA1
SCHEMBL1832511 0.85 PARP1 (0.47) PARP1TNKS2PARP2ESR2ADORA1
SCHEMBL16033863 0.84 PARP1 (0.47) PARP1TNKS2PARP2ESR2ADORA1
SCHEMBL9952433 0.82 P2RX7 (0.42) P2RX7DPP4
SCHEMBL16034060 0.82 PARP1 (0.45) PARP1TNKS2PARP2ESR2ADORA1
SCHEMBL29330190 0.82 PARP1 (0.45) PARP1TNKS2PARP2ESR2ADORA1
SCHEMBL24730853 0.81 PARP1 (0.45) PARP1TNKS2PARP2ESR2ADORA1
SCHEMBL1262738 0.81 DPP4 (0.49) PARP1TNKS2PARP2ESR2ADORA1
SCHEMBL29899536 0.81 PARP1 (0.47) PARP1TNKS2PARP2ESR2ADORA1

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
US-8809352-B2 Sulfonamides as inhibitors of Bcl-2 family proteins for the treatments of cancer NOVARTIS AG (CH) 2014-08-19 US disclosed
US-8809352-B2 Sulfonamides as inhibitors of Bcl-2 family proteins for the treatments of cancer NOVARTIS AG (CH) 2014-08-19 US disclosed
US-20120165298-A1 SULFONAMIDE COMPOUNDS NOVARTIS AG (CH) 2012-06-28 US disclosed
US-20120165298-A1 SULFONAMIDE COMPOUNDS NOVARTIS AG (CH) 2012-06-28 US disclosed
WO-2011029842-A1 SULFONAMIDES AS INHIBITORS OF BCL-2 FAMILY PROTEINS FOR THE TREATMENT OF CANCER NOVARTIS AG (CH) 2011-03-17 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-20120165298-A1 SULFONAMIDE COMPOUNDS BCLAF1, BCL2L11, BCL2 PARP1 2756/4885TNKS2 1338/4885PARP2 1525/4885

“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.