SCHEMBL4600319

SCHEMBL4600319

COC(=O)N(C1c2ccccc2-c2ccccc21)[C@@H](CNC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.40
MALT1 Q9UDY8 1/20 0.39
IDO1 P14902 2/20 0.38
PCSK9 Q8NBP7 1/20 0.37
KCNA5 P22460 1/20 0.36
CTSS P25774 3/20 0.35
CTSK P43235 2/20 0.35
ATM Q13315 1/20 0.35
CPB2 Q96IY4 1/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
AKT1 P31749 2/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL4599020 1.00 SYK (0.40) SYKMALT1IDO1PCSK9KCNA5
SCHEMBL23455560 0.93 NPFFR1 (0.36) SYKMALT1IDO1PCSK9KCNA5
SCHEMBL4612508 0.89 MALT1 (0.43) SYKMALT1IDO1KCNA5CTSS
SCHEMBL4717209 0.89 MALT1 (0.43) SYKMALT1IDO1KCNA5CTSS
SCHEMBL23455561 0.89 KMT2A (0.43) IDO1CTSSCTSKATMKMT2A
SCHEMBL23455547 0.89 KMT2A (0.43) IDO1CTSSCTSKATMKMT2A
SCHEMBL4599868 0.88 KMT2A (0.47) MALT1IDO1KCNA5MEN1GAA
SCHEMBL4600039 0.88 KMT2A (0.47) MALT1IDO1KCNA5MEN1GAA
SCHEMBL1637220 0.88 KMT2A (0.47) MALT1IDO1KCNA5MEN1GAA
SCHEMBL2292771 0.87 TPSAB1 (0.44) MALT1MEN1GAAKMT2AMAPT

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-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-17 US disclosed
WO-2008080223-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-10 WO disclosed
EP-1910279-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2008-04-16 EP disclosed
US-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-25 US disclosed
WO-2007002639-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-04 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 (2 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-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF HAVCR2, ADAR, NSUN2 SYK 4874/4885MALT1 4428/4885IDO1 3619/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH SYK 4032/4885MALT1 1060/4885IDO1 4357/4885

“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.