SCHEMBL1000232

SCHEMBL1000232

CC(C)(C)OC(=O)c1cccc(CC(=O)O)c1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.64
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
NR1H4 Q96RI1 2/20 0.47
LOXL2 Q9Y4K0 1/20 0.46
NR1H2 P55055 2/20 0.46
NR1H3 Q13133 2/20 0.46
RXRA P19793 1/20 0.46
CYP4F2 P78329 3/20 0.45
CYP4A11 Q02928 3/20 0.45
AKR1B1 P15121 1/20 0.44

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
SCHEMBL3498170 0.86 MRGPRX4 (0.55) SLC7A5NR1H2NR1H3RXRA
SCHEMBL12301533 0.85 SLC7A5 (0.65) SLC7A5CYP1A2CYP2C19LOXL2CYP4F2
SCHEMBL31068535 0.85 SLC7A5 (0.58) SLC7A5LOXL2CYP4F2CYP4A11
SCHEMBL29346854 0.85 SLC7A5 (0.58) SLC7A5LOXL2CYP4F2CYP4A11
SCHEMBL30873957 0.85 SLC7A5 (0.61) SLC7A5LOXL2NR1H2NR1H3CYP4F2
SCHEMBL7384982 0.84 SLC7A5 (0.63) SLC7A5LOXL2CYP4F2CYP4A11
SCHEMBL3499880 0.84 SLC7A5 (0.63) SLC7A5LOXL2CYP4F2CYP4A11
Hydrogen Peroxide SCHEMBL27146001 0.83 SLC7A5 (0.60) SLC7A5CYP1A2CYP2C19LOXL2
SCHEMBL10431445 0.83 SLC7A5 (0.62) SLC7A5LOXL2CYP4F2CYP4A11
SCHEMBL1246082 0.83 SLC7A5 (0.62) SLC7A5LOXL2CYP4F2CYP4A11

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 SLC7A5 3402/4885CYP1A2 4441/4885CYP2C19 3345/4885

“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.