SCHEMBL1000053

SCHEMBL1000053

CC(C(=O)ON)c1cccc(N)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.45
PTGS2 P35354 3/20 0.45
CPN1 P15169 1/20 0.45
CPB2 Q96IY4 1/20 0.45
ADRB2 P07550 2/20 0.42
ADRB1 P08588 2/20 0.42
ADRB3 P13945 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 2/20 0.39
CXCR1 P25024 2/20 0.39
CXCR2 P25025 2/20 0.39
ALDH1A1 P00352 2/20 0.39
RECQL P46063 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
PMP22 Q01453 1/20 0.39
SLC22A6 Q4U2R8 1/20 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
SCHEMBL31478060 0.86 PTGS1 (0.60) PTGS1PTGS2CPN1CPB2ADRB2
SCHEMBL3402993 0.86 PTGS1 (0.60) PTGS1PTGS2CPN1CPB2ADRB2
SCHEMBL6163227 0.83 SMN1; SMN2 (0.48) PTGS1PTGS2CPN1CPB2ADRB2
SCHEMBL5796124 0.82 APP (0.47) PTGS1PTGS2CPN1CPB2ADRB2
SCHEMBL27573545 0.82 CPN1 (0.50) PTGS1PTGS2CPN1CPB2ADRB2
SCHEMBL8579553 0.80 PTGS1 (0.59) PTGS1PTGS2CPN1CPB2SMN1; SMN2
SCHEMBL1888604 0.80 CPN1 (0.49) PTGS1PTGS2CPN1CPB2SMN1; SMN2
SCHEMBL360725 0.80 PTGS1 (0.59) PTGS1PTGS2CPN1CPB2SMN1; SMN2
SCHEMBL6661724 0.80 KMT2A (0.48) PTGS1PTGS2SMN1; SMN2KDM4ELMNA
SCHEMBL8029603 0.80 KMT2A (0.48) PTGS1PTGS2SMN1; SMN2KDM4ELMNA

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 PTGS1 4248/4885PTGS2 4421/4885CPN1 556/4885
US-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof NRDC, NOD2, NGLY1 PTGS1 3011/4885PTGS2 3443/4885CPN1 752/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH PTGS1 2224/4885PTGS2 2742/4885CPN1 642/4885

“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.