SCHEMBL997090

SCHEMBL997090

Nc1cccc(N)c1CC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.56
MMP2 P08253 1/20 0.43
GAA P10253 5/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GLA P06280 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ABCC4 O15439 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
PTGS1 P23219 1/20 0.40
HTT P42858 1/20 0.40
DUSP3 P51452 1/20 0.40

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
SCHEMBL28141464 0.87 AKR1B1 (0.50) AKR1B1MMP2GAAKDM4EHPGD
SCHEMBL28474465 0.87 KDM4E (0.51) AKR1B1GAAKDM4EHPGDALDH1A1
SCHEMBL16397093 0.86 AKR1B1 (0.47) AKR1B1MMP2GAAKDM4EHPGD
SCHEMBL28973528 0.86 MMP2 (0.55) AKR1B1MMP2GAAKDM4EALDH1A1
SCHEMBL13829757 0.86 AKR1B1 (0.74) AKR1B1GAAKDM4EALDH1A1HSD17B10
SCHEMBL8189339 0.84 AKR1B1 (0.46) AKR1B1GAAKDM4EHPGDALDH1A1
SCHEMBL11459057 0.80 MAPT (0.62) AKR1B1GAAALDH1A1GLAHSD17B10
SCHEMBL999247 0.79 AKR1B1 (0.43) AKR1B1GAAKDM4EHPGDALDH1A1
SCHEMBL1002823 0.76 KDM4E (0.42) AKR1B1GAAKDM4EHPGDALDH1A1
SCHEMBL1000848 0.76 PTGS2 (0.53) AKR1B1MMP2KDM4EHPGDTDP1

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 AKR1B1 2197/4885MMP2 1319/4885GAA 617/4885
US-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof NRDC, NOD2, NGLY1 AKR1B1 4716/4885MMP2 1024/4885GAA 945/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH AKR1B1 2146/4885MMP2 745/4885GAA 139/4885

“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.