SCHEMBL4599805

SCHEMBL4599805

COc1ccc(C=Cc2ccc(NC(=O)N[C@@H](CCCCN)C(=O)O)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.56
ANPEP P15144 1/20 0.51
CPB2 Q96IY4 1/20 0.50
PKM P14618 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
SNCA P37840 1/20 0.47
MAPK1 P28482 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46

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
SCHEMBL4599798 1.00 FPR2 (0.56) FPR2ANPEPCPB2PKMSMN1; SMN2
SCHEMBL4599812 1.00 FPR2 (0.56) FPR2ANPEPCPB2PKMSMN1; SMN2
SCHEMBL4600517 0.93 FPR2 (0.62) FPR2ANPEPCPB2PKMSMN1; SMN2
SCHEMBL4600525 0.93 FPR2 (0.62) FPR2ANPEPCPB2PKMSMN1; SMN2
SCHEMBL4738732 0.88 CA1 (0.51) FPR2CA1CA2FOLH1MMP2
SCHEMBL4738722 0.88 CA1 (0.51) FPR2CA1CA2FOLH1MMP2
SCHEMBL4738726 0.88 CA1 (0.51) FPR2CA1CA2FOLH1MMP2
SCHEMBL6720402 0.83 TAS1R3 (0.65) SMN1; SMN2RAB9AHDAC3HDAC4HDAC1
SCHEMBL6720404 0.83 TAS1R3 (0.65) SMN1; SMN2RAB9AHDAC3HDAC4HDAC1
SCHEMBL4599996 0.81 FPR2 (0.54) FPR2MAPTCA1CA2ALDH1A1

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 FPR2 3112/4885ANPEP 44/4885CPB2 1198/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH FPR2 3738/4885ANPEP 1315/4885CPB2 1322/4885

“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.