SCHEMBL4600517

SCHEMBL4600517

COc1ccc(NC(=O)N[C@@H](CCCCN)C(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 3/20 0.62
CPB2 Q96IY4 1/20 0.55
PKM P14618 1/20 0.54
ANPEP P15144 1/20 0.54
MAPK1 P28482 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
FOLH1 Q04609 1/20 0.50
CASR P41180 1/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
SAE1 Q9UBE0 1/20 0.48
UBA2 Q9UBT2 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 1/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL4600525 1.00 FPR2 (0.62) FPR2CPB2PKMANPEPMAPK1
SCHEMBL4599798 0.93 FPR2 (0.56) FPR2CPB2PKMANPEPMAPK1
SCHEMBL4599812 0.93 FPR2 (0.56) FPR2CPB2PKMANPEPMAPK1
SCHEMBL4599805 0.93 FPR2 (0.56) FPR2CPB2PKMANPEPMAPK1
SCHEMBL4599991 0.87 FPR2 (0.54) FPR2CA1CA2FOLH1
SCHEMBL4599996 0.87 FPR2 (0.54) FPR2CA1CA2FOLH1
SCHEMBL4600705 0.86 CYP2C9 (0.54) FPR2MAPK1CA1CA2FOLH1
SCHEMBL4600700 0.86 CYP2C9 (0.54) FPR2MAPK1CA1CA2FOLH1
SCHEMBL4600160 0.84 CA1 (0.56) FPR2CA1CA2FOLH1LMNA
SCHEMBL4600162 0.84 CA1 (0.56) FPR2CA1CA2FOLH1LMNA

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 FPR2 3112/4885CPB2 1198/4885PKM 4521/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH FPR2 3738/4885CPB2 1322/4885PKM 2190/4885

“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.