SCHEMBL1542841

SCHEMBL1542841

CC(CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=NO)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)c1ccc([N+](=O)[O-])c2nonc12

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATIC P31939 1/20 0.48
NPC1L1 Q9UHC9 2/20 0.46
ST6GAL1 P15907 7/20 0.43
ST3GAL1 Q11201 2/20 0.43
PTPN1 P18031 1/20 0.42
ST3GAL3 Q11203 1/20 0.42
CYP17A1 P05093 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
USP2 O75604 2/20 0.39
LMNA P02545 1/20 0.37
ABCB1 P08183 1/20 0.37
OSBP P22059 1/20 0.37
RORC P51449 1/20 0.37
OSBP2 Q969R2 1/20 0.37
CYP46A1 Q9Y6A2 1/20 0.37

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
SCHEMBL16506704 1.00 ATIC (0.48) ATICNPC1L1ST6GAL1ST3GAL1PTPN1
SCHEMBL2448736 0.91 NPC1L1 (0.55) ATICNPC1L1ST6GAL1ST3GAL1PTPN1
SCHEMBL1542632 0.83 USP2 (0.61) NPC1L1ST6GAL1ST3GAL1CYP17A1USP2
SCHEMBL12436829 0.82 OSBP (0.59) NPC1L1USP2LMNAABCB1OSBP
Olesoxime SCHEMBL18870340 0.77 ATIC (0.66) ATICNPC1L1PTPN1CYP17A1KDM4E
Olesoxime SCHEMBL19236075 0.77 ATIC (0.66) ATICNPC1L1PTPN1CYP17A1KDM4E
Olesoxime SCHEMBL19668128 0.77 ATIC (0.66) ATICNPC1L1PTPN1CYP17A1KDM4E
Olesoxime SCHEMBL19668134 0.77 ATIC (0.66) ATICNPC1L1PTPN1CYP17A1KDM4E
Olesoxime SCHEMBL19668133 0.77 ATIC (0.66) ATICNPC1L1PTPN1CYP17A1KDM4E
Olesoxime SCHEMBL1010553 0.77 ATIC (0.66) ATICNPC1L1PTPN1CYP17A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307438-B1 CHOLEST-4-EN-3-ONE OXIME DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND PREPARATION METHOD TROPHOS (FR) 2018-03-07 EP claimed
US-20160339041-A1 LIPOSOME COMPRISING AT LEAST ONE CHOLESTEROL DERIVATIVE TROPHOS (FR) 2016-11-24 US claimed
US-9447140-B2 Cholest-4-en-3-one oxime derivatives, pharmaceutical compositions containing same, and preparation method TROPHOS (FR) 2016-09-20 US claimed
US-20150056269-A1 LIPOSOME COMPRISING AT LEAST ONE CHOLESTEROL DERIVATIVE TROPHOS (FR) 2015-02-26 US claimed
US-20110224180-A1 NOVEL CHOLEST-4-EN-3-ONE OXIME DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND PREPARATION METHOD TROPHOS (FR) 2011-09-15 US claimed
EP-2307438-B1 CHOLEST-4-EN-3-ONE OXIME DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND PREPARATION METHOD TROPHOS (FR) 2018-03-07 EP disclosed
US-20160339041-A1 LIPOSOME COMPRISING AT LEAST ONE CHOLESTEROL DERIVATIVE TROPHOS (FR) 2016-11-24 US disclosed
US-9447140-B2 Cholest-4-en-3-one oxime derivatives, pharmaceutical compositions containing same, and preparation method TROPHOS (FR) 2016-09-20 US disclosed
US-20150056269-A1 LIPOSOME COMPRISING AT LEAST ONE CHOLESTEROL DERIVATIVE TROPHOS (FR) 2015-02-26 US disclosed
US-20110224180-A1 NOVEL CHOLEST-4-EN-3-ONE OXIME DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND PREPARATION METHOD TROPHOS (FR) 2011-09-15 US disclosed
EP-2307438-A2 NOVEL CHOLEST-4-EN-3-ONE OXIME DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND PREPARATION METHOD Trophos (FR) 2011-04-13 EP disclosed
WO-2010012904-A2 NOVEL CHOLEST-4-EN-3-ONE OXIME DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND PREPARATION METHOD TROPHOS (FR) 2010-02-04 WO 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-20110224180-A1 NOVEL CHOLEST-4-EN-3-ONE OXIME DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND PREPARATION METHOD NR1H3, NR1H2, CYP27A1 ATIC 4622/4885NPC1L1 22/4885ST6GAL1 3055/4885
US-20160339041-A1 LIPOSOME COMPRISING AT LEAST ONE CHOLESTEROL DERIVATIVE LIPA, NPC1L1, CETP ATIC 4085/4885NPC1L1 2/4885ST6GAL1 185/4885
US-20150056269-A1 LIPOSOME COMPRISING AT LEAST ONE CHOLESTEROL DERIVATIVE LIPA, NPC1L1, CETP ATIC 4085/4885NPC1L1 2/4885ST6GAL1 185/4885

“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.