Levoketoconazole

Levoketoconazole

SCHEMBL1217855

CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1.Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1

nearest known ligand 0.79

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CYP11A1CYP11B1CYP11B2CYP17A1ERG11

The experimentally established mechanism targets of Levoketoconazole. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 known ✓ P05093 15/20 0.79
CYP11B1 known ✓ P15538 14/20 0.79
CYP11B2 known ✓ P19099 1/20 0.79
CYP3A4 P08684 19/20 0.79
CYP21A2 P08686 16/20 0.79
CYP19A1 P11511 16/20 0.79
USP2 O75604 2/20 0.79
MAPT P10636 2/20 0.79
MAPK1 P28482 2/20 0.79
SMN1; SMN2 Q16637 2/20 0.79
TDP1 Q9NUW8 2/20 0.79
MEN1 O00255 1/20 0.79
SLC22A1 O15245 1/20 0.79
ABCC4 O15439 1/20 0.79
CYP27B1 O15528 1/20 0.79
CYP26A1 O43174 1/20 0.79
NR1I2 O75469 1/20 0.79
GMNN O75496 1/20 0.79
ABCB11 O95342 1/20 0.79
ALDH1A1 P00352 1/20 0.79

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
Ketoconazole SCHEMBL28114738 1.00 CYP3A4 (0.79) CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1
Levoketoconazole SCHEMBL15864759 0.95 CYP3A4 (0.80) CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1
Ketoconazole SCHEMBL6692835 0.94 CYP3A4 (0.75) CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1
Levoketoconazole SCHEMBL20775122 0.92 CYP3A4 (0.67) CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1
Levoketoconazole SCHEMBL24312989 0.89 CYP3A4 (1.00) CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1
Levoketoconazole SCHEMBL41473 0.89 CYP3A4 (1.00) CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1
Levoketoconazole SCHEMBL1517472 0.89 CYP3A4 (1.00) CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1
Ketoconazole SCHEMBL8408 0.89 CYP3A4 (1.00) CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1
Ketoconazole SCHEMBL18258319 0.89 CYP3A4 (1.00) CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1
Levoketoconazole SCHEMBL8407 0.89 CYP3A4 (1.00) CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1594546-A1 SALICYLIC ACID DERIVATIVE AS EFFICACY ENHANCER AND METHOD L'OREAL (FR) 2005-11-16 EP claimed
WO-2004073745-A1 SALICYLIC ACID DERIVATIVE AS EFFICACY ENHANCER AND METHOD L'ORÉAL (FR) 2004-09-02 WO claimed
US-20040162272-A1 Chemical enhancer and method L'OREAL S.A. (FR) 2004-08-19 US claimed
US-9585846-B2 Anti-microbial composition WILD CHILD (AU) 2017-03-07 US disclosed
EP-2205230-B1 ANTI-MICROBIAL COMPOSITION WILD CHILD (AU) 2016-03-23 EP disclosed
US-20150064288-A1 Anti-Microbial Composition WILD CHILD (AU) 2015-03-05 US disclosed
US-8859627-B2 Anti-microbial composition WILD CHILD (AU) 2014-10-14 US disclosed
US-8343519-B2 Enhancing the efficacy of an active agent in or on the body, comprising applying to the body a combination of an active agent and at least one salicylic acid derivative L'OREAL S.A. (FR) 2013-01-01 US disclosed
US-20110028563-A1 ANTI-MICROBIAL COMPOSITION WILD CHILD (AU) 2011-02-03 US disclosed
EP-2205230-A1 ANTI-MICROBIAL COMPOSITION Wild Child (AU) 2010-07-14 EP disclosed
WO-2009052566-A1 ANTI-MICROBIAL COMPOSITION WILD CHILD (AU) 2009-04-30 WO disclosed
EP-1594546-A1 SALICYLIC ACID DERIVATIVE AS EFFICACY ENHANCER AND METHOD L'OREAL (FR) 2005-11-16 EP disclosed
WO-2004073745-A1 SALICYLIC ACID DERIVATIVE AS EFFICACY ENHANCER AND METHOD L'ORÉAL (FR) 2004-09-02 WO disclosed
US-20040162272-A1 Chemical enhancer and method L'OREAL S.A. (FR) 2004-08-19 US disclosed
US-4542020-A CELLULOSE DERIVATIVE HYDROCOLLOID, LOW MELTING BASE E. R. SQUIBB & SONS, INC. (US) 1985-09-17 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-20040162272-A1 Chemical enhancer and method ALOX5, TYR, ALOX15 CYP17A1 104/4885CYP11B1 1432/4885CYP11B2 1602/4885

“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.