SCHEMBL6840367

SCHEMBL6840367

CCC12COCCN1c1nc(S(C)(=O)=O)ncc1N(C)C2=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
MTOR P42345 16/20 0.34
RICTOR Q6R327 15/20 0.34
MAPKAP1 Q9BPZ7 15/20 0.34
MLST8 Q9BVC4 15/20 0.34
PIK3CA P42336 2/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
NUAK1 O60285 1/20 0.32
SIK1 P57059 1/20 0.32
NUAK2 Q9H093 1/20 0.32
SIK2 Q9H0K1 1/20 0.32
SIK3 Q9Y2K2 1/20 0.32
NPC1 O15118 1/20 0.32
MITF O75030 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
XBP1 P17861 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL15235208 0.84 MTOR (0.36) MTORRICTORMAPKAP1MLST8PIK3CA
SCHEMBL2336483 0.84 MTOR (0.34) MTORRICTORMAPKAP1MLST8PIK3CA
SCHEMBL5936907 0.80 L3MBTL1 (0.42) L3MBTL1MTORRICTORMAPKAP1MLST8
SCHEMBL6844722 0.75 MTOR (0.37) MTORRICTORMAPKAP1MLST8PIK3CA
SCHEMBL2049708 0.73 PLK2 (0.57)
SCHEMBL2048748 0.73 PLK2 (0.57)
SCHEMBL2048744 0.73 PLK2 (0.57)
SCHEMBL2051996 0.73 MTOR (0.40) MTORRICTORMAPKAP1MLST8PIK3CA
SCHEMBL2047503 0.73 MTOR (0.40) MTORRICTORMAPKAP1MLST8PIK3CA
SCHEMBL2051995 0.73 MTOR (0.40) MTORRICTORMAPKAP1MLST8PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARM INC (US) 2015-05-07 US disclosed
US-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARM INC (US) 2015-05-07 US disclosed
US-8541418-B2 Inhibitors of polo-like kinase ELAN PHARMACEUTICAL, INC. (US) 2013-09-24 US disclosed
US-8541418-B2 Inhibitors of polo-like kinase ELAN PHARMACEUTICAL, INC. (US) 2013-09-24 US disclosed
US-20130231335-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. (US) 2013-09-05 US disclosed
US-20130231335-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. (US) 2013-09-05 US disclosed
US-8445503-B2 Inhibitors of polo-like kinase ELAN PHARMACEUTICALS, INC. (US) 2013-05-21 US disclosed
US-8445503-B2 Inhibitors of polo-like kinase ELAN PHARMACEUTICALS, INC. (US) 2013-05-21 US disclosed
US-20110212942-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. 2011-09-01 US disclosed
US-20110212942-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. 2011-09-01 US disclosed
US-20110207716-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. 2011-08-25 US disclosed
US-20110207716-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. 2011-08-25 US disclosed
WO-2011079118-A1 PTERIDINONES AS INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC (US) 2011-06-30 WO disclosed
WO-2011079114-A1 PTERIDINONES AS INHIBITORS OF POLO - LIKE KINASE ELAN PHARMACEUTICALS, INC. (US) 2011-06-30 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 (4 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-20110212942-A1 INHIBITORS OF POLO-LIKE KINASE PLK1, POLK, POLR2E L3MBTL1 2155/4885MTOR 603/4885RICTOR 2502/4885
US-20130231335-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E L3MBTL1 2055/4885MTOR 548/4885RICTOR 2326/4885
US-20110207716-A1 INHIBITORS OF POLO-LIKE KINASE PLK1, POLK, POLR2E L3MBTL1 2056/4885MTOR 449/4885RICTOR 2223/4885
US-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E L3MBTL1 2055/4885MTOR 548/4885RICTOR 2326/4885

“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.