SCHEMBL999079

SCHEMBL999079

CC(C(=O)O)c1c(N)ccc(N)c1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.38
PTGS1 P23219 10/20 0.36
AKR1C3 P42330 7/20 0.36
AKR1C2 P52895 6/20 0.36
CXCR1 P25024 4/20 0.36
CXCR2 P25025 4/20 0.36
CYP2C9 P11712 3/20 0.36
LMNA P02545 3/20 0.36
SLC22A6 Q4U2R8 3/20 0.36
CXCL8 P10145 2/20 0.36
PMP22 Q01453 2/20 0.36
TSHR P16473 2/20 0.36
ALB P02768 1/20 0.36
ESR1 P03372 1/20 0.36
ALOX5 P09917 1/20 0.36
RARB P10826 1/20 0.36
ADRB3 P13945 1/20 0.36
NFKB1 P19838 1/20 0.36
HTR2A P28223 1/20 0.36
NR1I3 Q14994 1/20 0.36

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
SCHEMBL1000720 0.81 PTGS2 (0.44) PTGS2PTGS1AKR1C3AKR1C2CXCR1
SCHEMBL1000854 0.78 PTGS2 (0.37) PTGS2PTGS1AKR1C3AKR1C2CXCR1
SCHEMBL10588711 0.75 CD44 (0.42) PTGS2PTGS1AKR1C3AKR1C2CXCR1
SCHEMBL5873594 0.73 PTGS2 (0.46) PTGS2PTGS1AKR1C3AKR1C2CXCR1
SCHEMBL28195583 0.73 PTGS2 (0.40) PTGS2PTGS1AKR1C3AKR1C2CXCR1
SCHEMBL26930753 0.73 APP (0.38) PTGS2PTGS1AKR1C3AKR1C2CYP2C9
SCHEMBL1000705 0.72 KDM4E (0.44) PTGS2PTGS1AKR1C3AKR1C2CXCR1
SCHEMBL939779 0.72 CD44 (0.35) CYP3A4MAOASMN1; SMN2ALDH1A1HIF1A
SCHEMBL2928246 0.72 KDM4E (0.42) LMNABLMCYP3A4HPGDCYP1A2
SCHEMBL1000051 0.72 CXCL8 (0.44) PTGS2PTGS1CXCR1CXCR2CYP2C9

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 9 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
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

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 4248/4885AKR1C3 2280/4885
US-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof NRDC, NOD2, NGLY1 PTGS2 3443/4885PTGS1 3011/4885AKR1C3 4524/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH PTGS2 2742/4885PTGS1 2224/4885AKR1C3 2536/4885

“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.