SCHEMBL4600478

SCHEMBL4600478

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 3/20 0.43
TPSD1 Q9BZJ3 3/20 0.43
TPSG1 Q9NRR2 3/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
CACNA1G O43497 4/20 0.41
MALT1 Q9UDY8 1/20 0.40
ACE P12821 1/20 0.40
DRD2 P14416 2/20 0.39
FOLH1 Q04609 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 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
SCHEMBL2292771 0.99 TPSAB1 (0.44) TPSAB1TPSD1TPSG1KMT2AMEN1
SCHEMBL4600306 0.99 TPSAB1 (0.44) TPSAB1TPSD1TPSG1KMT2AMEN1
SCHEMBL4599808 0.99 TPSAB1 (0.44) TPSAB1TPSD1TPSG1KMT2AMEN1
SCHEMBL1637220 0.96 KMT2A (0.47) TPSAB1TPSD1TPSG1KMT2AMEN1
SCHEMBL4599868 0.96 KMT2A (0.47) TPSAB1TPSD1TPSG1KMT2AMEN1
SCHEMBL4600039 0.96 KMT2A (0.47) TPSAB1TPSD1TPSG1KMT2AMEN1
SCHEMBL4612508 0.92 MALT1 (0.43) TPSAB1TPSD1TPSG1KMT2AMEN1
SCHEMBL4717209 0.92 MALT1 (0.43) TPSAB1TPSD1TPSG1KMT2AMEN1
SCHEMBL9933024 0.91 CXCR3 (0.45)
SCHEMBL8893033 0.87 CYP1A2 (0.37) KMT2AGAAFOLH1MAPT

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 TPSAB1 4681/4885TPSD1 4609/4885TPSG1 4479/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH TPSAB1 3165/4885TPSD1 2971/4885TPSG1 1955/4885

“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.