SCHEMBL334245

SCHEMBL334245

CC(C)[C@@H](CNC(=O)/C=C/c1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
EGFR P00533 2/20 0.46
KMT2A Q03164 2/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
MMP1 P03956 2/20 0.45
MMP2 P08253 2/20 0.45
MMP9 P14780 2/20 0.45
ALDH1A1 P00352 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43

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
SCHEMBL5049488 1.00 RAB9A (0.47) RAB9ANPC1TDP1EGFRKMT2A
SCHEMBL334003 0.89 HDAC3 (0.48) PPARGPPARACTSSCTSKHDAC3
SCHEMBL334004 0.89 HDAC3 (0.48) PPARGPPARACTSSCTSKHDAC3
SCHEMBL334246 0.86 RAB9A (0.47) RAB9ANPC1TDP1EGFRKMT2A
SCHEMBL334437 0.80 KMT2A (0.49) RAB9ANPC1TDP1EGFRKMT2A
SCHEMBL334005 0.78 HDAC3 (0.48) PPARGPPARAALDH1A1CTSSCTSK
SCHEMBL13389102 0.78 KMT2A (0.52) RAB9ANPC1TDP1EGFRKMT2A
SCHEMBL23196471 0.77 KMT2A (0.67) RAB9ANPC1EGFRKMT2AMMP1
SCHEMBL29830593 0.77 KMT2A (0.67) RAB9ANPC1EGFRKMT2AMMP1
SCHEMBL335155 0.76 TDP1 (0.45) RAB9ANPC1TDP1EGFRKMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097582-B2 Peptide derivatives useful as antimicrobial agents and for treating wounds NEOBIOTICS AB (SE) 2012-01-17 US disclosed
US-20100247648-A1 ANTIMICROBIAL COMPOUNDS NEOBIOTICS AB (SE) 2010-09-30 US disclosed
US-7691805-B2 Antimicrobial compounds NEOBIOTICS AB (SE) 2010-04-06 US disclosed
US-20090118198-A1 NOVEL PEPTIDE DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS FOR TREATING WOUNDS ZULA DIAGNOSTICS AB (SE) 2009-05-07 US disclosed
EP-2019819-A1 NOVEL PEPTIDE DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS FOR TREATING WOUNDS Neobiotics AB (SE) 2009-02-04 EP disclosed
US-20080255055-A1 Use of Derivatives of Dipeptides for the Manufacture of of a Medicament for the Treamtent of Microbial Infections NEOBIOTICS AB (SE) 2008-10-16 US disclosed
WO-2007129952-A1 NOVEL PEPTIDE DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS FOR TREATING WOUNDS NEOBIOTICS AB (SE) 2007-11-15 WO disclosed
US-20060116327-A1 Dipeptide derivatives with active agents to formulate one composition to reduce, eliminate more than one microorganism; effect against a broad spectrum of microorganisms; mechanism of action on pathogen may be on a basic level; low probability for developing resistance NEOBIOTICS AB (SE) 2006-06-01 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 (4 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-20060116327-A1 Dipeptide derivatives with active agents to formulate one composition to reduce, eliminate more than one microorganism; effect against a broad spectrum of microorganisms; mechanism of action on pathogen may be on a basic level; low probability for developing resistance ARG1, ARGLU1, VIP RAB9A 2534/4885NPC1 2357/4885TDP1 2888/4885
US-20080255055-A1 Use of Derivatives of Dipeptides for the Manufacture of of a Medicament for the Treamtent of Microbial Infections VIP, ARG1, PEPD RAB9A 3961/4885NPC1 1651/4885TDP1 2782/4885
US-20090118198-A1 NOVEL PEPTIDE DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS FOR TREATING WOUNDS VIP, NGLY1, ARG1 RAB9A 1981/4885NPC1 2437/4885TDP1 4046/4885
US-20100247648-A1 ANTIMICROBIAL COMPOUNDS ARG1, C1R, ARG2 RAB9A 1884/4885NPC1 718/4885TDP1 3939/4885

“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.