SCHEMBL1000052

SCHEMBL1000052

Nc1cccc(CCC(=O)O)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 3/20 0.47
PTGER4 P35408 3/20 0.47
PTGER3 P43115 3/20 0.47
PTGER2 P43116 3/20 0.47
KEAP1 Q14145 1/20 0.45
PARP1 P09874 2/20 0.45
FFAR1 O14842 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
IAPP P10997 2/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
AKR1B1 P15121 1/20 0.39
HDAC3 O15379 1/20 0.38
MAPK1 P28482 1/20 0.38
ADRA1A P35348 1/20 0.38
HDAC4 P56524 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HDAC1 Q13547 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38

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
SCHEMBL27856268 0.86 F13A1 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL89295 0.84 KEAP1 (0.54) PTGER1PTGER4PTGER3PTGER2KEAP1
SCHEMBL28142232 0.83 PTGER1 (0.46) PTGER1PTGER4PTGER3PTGER2KEAP1
SCHEMBL6248978 0.83 MMP2 (0.48) PTGER1PTGER4PTGER3PTGER2KEAP1
SCHEMBL1000855 0.82 NPSR1 (0.44) PTGER1PTGER4PTGER3PTGER2KEAP1
SCHEMBL6832900 0.81 G6PD (0.56) PTGER1PTGER4PTGER3PTGER2KEAP1
SCHEMBL34471877 0.81 PARP1 (0.58) PTGER1PTGER4PTGER3PTGER2KEAP1
SCHEMBL1178005 0.81 PTGER1 (0.49) PTGER1PTGER4PTGER3PTGER2KEAP1
SCHEMBL1178702 0.81 NPSR1 (0.48) PTGER1PTGER4PTGER3PTGER2KEAP1
SCHEMBL1178756 0.81 PTGER1 (0.45) PTGER1PTGER4PTGER3PTGER2KEAP1

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
US-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-25 US 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 PTGER1 4649/4885PTGER4 4481/4885PTGER3 4359/4885
US-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof NRDC, NOD2, NGLY1 PTGER1 2650/4885PTGER4 3007/4885PTGER3 2776/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH PTGER1 2452/4885PTGER4 3362/4885PTGER3 3375/4885

“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.