SCHEMBL4600619

SCHEMBL4600619

CC(C)(C)OC(=O)NCCCCC(CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
CASP3 P42574 4/20 0.49
MDM2 Q00987 1/20 0.48
TLR2 O60603 1/20 0.47
TLR1 Q15399 1/20 0.47
MAPT P10636 1/20 0.42
SYK P43405 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL29397881 1.00 KMT2A (0.56) KMT2ACASP3MDM2TLR2TLR1
SCHEMBL29483213 1.00 KMT2A (0.56) KMT2ACASP3MDM2TLR2TLR1
SCHEMBL4600617 1.00 KMT2A (0.56) KMT2ACASP3MDM2TLR2TLR1
SCHEMBL25261537 0.97 KMT2A (0.54) KMT2ACASP3MDM2TLR2TLR1
SCHEMBL25292322 0.97 KMT2A (0.54) KMT2ACASP3MDM2TLR2TLR1
SCHEMBL30497284 0.97 KMT2A (0.54) KMT2ACASP3MDM2TLR2TLR1
SCHEMBL30983384 0.92 KMT2A (0.60) KMT2ACASP3MDM2TLR2TLR1
SCHEMBL119910 0.91 KMT2A (0.67) KMT2ACASP3MDM2
SCHEMBL2947901 0.90 KMT2A (0.53) KMT2ACASP3MDM2TLR2TLR1
SCHEMBL29400817 0.90 KMT2A (0.53) KMT2ACASP3MDM2TLR2TLR1

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 4 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
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 KMT2A 3406/4885CASP3 760/4885MDM2 3730/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH KMT2A 1805/4885CASP3 3087/4885MDM2 2451/4885

“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.