SCHEMBL1000051

SCHEMBL1000051

CC(C(=O)O)c1cccc(N)c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 2/20 0.44
PTGS2 P35354 7/20 0.42
MMP2 P08253 3/20 0.41
MMP9 P14780 2/20 0.41
MMP8 P22894 2/20 0.41
MMP12 P39900 2/20 0.41
MMP13 P45452 2/20 0.41
MMP14 P50281 2/20 0.41
MMP16 P51512 2/20 0.41
MMP1 P03956 1/20 0.41
PTGS1 P23219 5/20 0.40
CD44 P16070 1/20 0.39
MAPT P10636 2/20 0.39
CXCR1 P25024 2/20 0.39
CXCR2 P25025 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 2/20 0.39
HPGD P15428 2/20 0.39

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
SCHEMBL27950416 0.86 CD44 (0.40) CXCL8MMP2PTGS1CD44SMN1; SMN2
SCHEMBL7381015 0.85 CYP3A4 (0.48) CXCL8PTGS2MMP2MMP9MMP8
SCHEMBL5215577 0.84 PTGS2 (0.52) CXCL8PTGS2MMP2MMP9MMP8
SCHEMBL288752 0.84 PTGS2 (0.52) CXCL8PTGS2MMP2MMP9MMP8
SCHEMBL59839 0.84 PTGS2 (0.52) CXCL8PTGS2MMP2MMP9MMP8
SCHEMBL30338418 0.84 PTGS2 (0.52) CXCL8PTGS2MMP2MMP9MMP8
SCHEMBL8664725 0.83 MMP2 (0.48) CXCL8PTGS2MMP2MMP9MMP8
SCHEMBL6248977 0.83 MMP2 (0.48) CXCL8PTGS2MMP2MMP9MMP8
SCHEMBL1000854 0.82 PTGS2 (0.37) CXCL8PTGS2MMP2MMP9MMP8
SCHEMBL10687309 0.81 PTGS2 (0.44) CXCL8PTGS2MMP2MMP9MMP8

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 12 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
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
EP-1656390-A2 COMPOSITIONS OF LIPOPEPTIDE ANTIBIOTIC DERIVATIVES AND METHODS OF USE THEREOF MIGENIX INC. (CA) 2006-05-17 EP disclosed
US-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof MIGENIX INC. (CA) 2005-07-14 US disclosed
WO-2005000878-A2 COMPOSITIONS OF LIPOPEPTIDE ANTIBIOTIC DERIVATIVES AND METHODS OF USE THEREOF MIGENIX INC. (CA) 2005-01-06 WO disclosed
EP-0030505-B1 LACTONES SUBSTITUTED BY AN AMINO-ACID RESIDUE, THEIR PREPARATION AND THEIR USE IN THE SEPARATION OF SAID LACTONES OR AMINO ACIDS ROUSSEL-UCLAF (FR) 1985-07-24 EP disclosed
EP-0030505-A1 Lactones substituted by an amino-acid residue, their preparation and their use in the separation of said lactones or amino acids ROUSSEL-UCLAF (FR) 1981-06-17 EP 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 CXCL8 400/4885PTGS2 4421/4885MMP2 1319/4885
US-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof NRDC, NOD2, NGLY1 CXCL8 411/4885PTGS2 3443/4885MMP2 1024/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH CXCL8 3839/4885PTGS2 2742/4885MMP2 745/4885

“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.