SCHEMBL4739082

SCHEMBL4739082

Cc1cccc(CNCC(=O)N[C@@H](CCCCN)C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 5/20 0.46
SLC6A5 Q9Y345 1/20 0.43
OPRK1 P41145 2/20 0.43
TLR2 O60603 1/20 0.43
C3AR1 Q16581 1/20 0.42
ERAP2 Q6P179 2/20 0.41
LNPEP Q9UIQ6 2/20 0.41
MEP1B Q16820 1/20 0.41
ERAP1 Q9NZ08 1/20 0.41
F2 P00734 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40

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
SCHEMBL4739090 1.00 FOLH1 (0.46) FOLH1SLC6A5OPRK1TLR2C3AR1
SCHEMBL4600730 0.87 SLC6A5 (0.46) FOLH1SLC6A5OPRK1TLR2ITGB3
SCHEMBL4600727 0.87 SLC6A5 (0.46) FOLH1SLC6A5OPRK1TLR2ITGB3
SCHEMBL4738184 0.86 FOLH1 (0.62) FOLH1TLR2C3AR1
SCHEMBL4739886 0.86 FOLH1 (0.55) FOLH1SLC6A5C3AR1ERAP2LNPEP
SCHEMBL4739889 0.86 FOLH1 (0.55) FOLH1SLC6A5C3AR1ERAP2LNPEP
SCHEMBL4738193 0.86 FOLH1 (0.62) FOLH1TLR2C3AR1
SCHEMBL4738209 0.86 MEN1 (0.51) OPRK1C3AR1
SCHEMBL4738198 0.86 MEN1 (0.51) OPRK1C3AR1
SCHEMBL4599882 0.84 TGM2 (0.48) FOLH1ITGB3ITGA2B

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 3 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
US-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-25 US 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 FOLH1 771/4885SLC6A5 2604/4885OPRK1 2497/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH FOLH1 1486/4885SLC6A5 4507/4885OPRK1 3838/4885

“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.