SCHEMBL999347

SCHEMBL999347

CC(=O)Oc1cccc(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.61
MEN1 O00255 1/20 0.61
ALDH1A1 P00352 2/20 0.56
HTT P42858 2/20 0.56
NPC1 O15118 1/20 0.56
TP53 P04637 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CYP3A4 P08684 2/20 0.53
FAAH O00519 1/20 0.52
MAPK1 P28482 1/20 0.52
CYP1A2 P05177 1/20 0.50
EPHX2 P34913 1/20 0.50
CYP17A1 P05093 1/20 0.49
LMNA P02545 3/20 0.49
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL3892771 0.91 ALDH1A1 (0.52) KMT2AMEN1ALDH1A1HTTNPC1
SCHEMBL13394147 0.86 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1HTTNPC1
SCHEMBL26785208 0.86 MAPK1 (0.50) KMT2AMEN1ALDH1A1HTTNPC1
SCHEMBL5894005 0.85 CA2 (0.52) KMT2AMEN1ALDH1A1NPC1TP53
SCHEMBL281590 0.85 RAB9A (0.59) KMT2AALDH1A1HTTNPC1TP53
SCHEMBL23871058 0.85 MAPK1 (0.49) KMT2AMEN1ALDH1A1HTTNPC1
SCHEMBL28890018 0.85 ACHE (0.49) KMT2AMEN1ALDH1A1CYP3A4FAAH
SCHEMBL29029431 0.84 HDAC3 (0.56) MAPK1CYP17A1LMNAHDAC3HDAC1
SCHEMBL25736723 0.83 CYP3A4 (0.51) KMT2AMEN1ALDH1A1HTTNPC1
SCHEMBL23117409 0.82 MAPK1 (0.47) KMT2AMEN1ALDH1A1HTTNPC1

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 3 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-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 (1 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-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof NRDC, NOD2, NGLY1 KMT2A 4429/4885MEN1 3085/4885ALDH1A1 4771/4885

“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.