SCHEMBL1000720

SCHEMBL1000720

CC(C(=O)O)c1c(N)cccc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.44
PTGS1 P23219 7/20 0.42
CXCR1 P25024 4/20 0.42
CXCR2 P25025 4/20 0.42
MAPT P10636 3/20 0.42
CYP3A4 P08684 3/20 0.42
LMNA P02545 3/20 0.42
CXCL8 P10145 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
PMP22 Q01453 2/20 0.42
SLC22A6 Q4U2R8 2/20 0.42
RECQL P46063 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
MMP2 P08253 1/20 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
SCHEMBL10588711 0.88 CD44 (0.42) PTGS2PTGS1CXCR1CXCR2MAPT
SCHEMBL29285291 0.82 AKR1C3 (0.45) CYP3A4HPGDCYP2C9ADRA2CMAOA
SCHEMBL999079 0.81 PTGS2 (0.38) PTGS2PTGS1CXCR1CXCR2MAPT
SCHEMBL2799670 0.80 MAPT (0.45) PTGS2PTGS1CXCR1CXCR2MAPT
SCHEMBL1000705 0.78 KDM4E (0.44) PTGS2PTGS1CXCR1CXCR2MAPT
SCHEMBL1000051 0.78 CXCL8 (0.44) PTGS2PTGS1CXCR1CXCR2MAPT
SCHEMBL7381015 0.78 CYP3A4 (0.48) PTGS2PTGS1CXCR1CXCR2MAPT
SCHEMBL5215577 0.77 PTGS2 (0.52) PTGS2PTGS1CXCR1CXCR2MAPT
SCHEMBL59839 0.77 PTGS2 (0.52) PTGS2PTGS1CXCR1CXCR2MAPT
SCHEMBL288752 0.77 PTGS2 (0.52) PTGS2PTGS1CXCR1CXCR2MAPT

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 7 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
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
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.