SCHEMBL1001487

SCHEMBL1001487

CC(C(=O)O)c1cc(N)c(N)c(N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.44
PTGS1 P23219 11/20 0.42
CXCR1 P25024 4/20 0.42
CXCR2 P25025 4/20 0.42
SLC22A6 Q4U2R8 4/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PMP22 Q01453 2/20 0.42
CXCL8 P10145 2/20 0.42
RECQL P46063 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
THPO P40225 1/20 0.42
HIF1A Q16665 1/20 0.42
AKR1C3 P42330 10/20 0.41

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
SCHEMBL999861 0.80 PTGS2 (0.45) PTGS2PTGS1CXCR1CXCR2SLC22A6
SCHEMBL7076065 0.80 PTGS2 (0.45) PTGS2PTGS1CXCR1CXCR2SLC22A6
SCHEMBL1002973 0.79 AKR1C3 (0.50) PTGS2PTGS1CXCR1CXCR2SLC22A6
SCHEMBL2162196 0.79 AKR1C3 (0.51) PTGS2PTGS1SLC22A6LMNAMAPT
SCHEMBL287468 0.76 ALDH1A1 (0.63) PTGS2PTGS1SLC22A6ALDH1A1CYP3A4
SCHEMBL1017920 0.76 PTGS2 (0.47) PTGS2PTGS1CXCR1CXCR2SLC22A6
SCHEMBL732665 0.75 AKR1C3 (0.55) PTGS2PTGS1SLC22A6LMNAMAPT
SCHEMBL1000803 0.74 KDM4E (0.40) PTGS2PTGS1CXCR1CXCR2SLC22A6
SCHEMBL15506106 0.73 PTGS2 (0.47) PTGS2PTGS1CXCR1CXCR2SLC22A6
SCHEMBL5846200 0.73 PTGS2 (0.54) PTGS2PTGS1CXCR1CXCR2SLC22A6

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-7868135-B2 Compositions of lipopeptide antibiotic derivatives and methods of use thereof BIOWEST THERAPEUTICS INC. (CA) 2011-01-11 US disclosed
EP-2147925-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof MIGENIX INC. (CA) 2010-01-27 EP disclosed
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-17 US disclosed
US-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-25 US disclosed
US-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof MIGENIX INC. (CA) 2005-07-14 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 (3 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 PTGS2 4421/4885PTGS1 4248/4885CXCR1 850/4885
US-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof NRDC, NOD2, NGLY1 PTGS2 3443/4885PTGS1 3011/4885CXCR1 571/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH PTGS2 2742/4885PTGS1 2224/4885CXCR1 4631/4885

“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.