Sugi Predict

Sugi Predict / Compounds / SCHEMBL2448736

SCHEMBL2448736

SCHEMBL2448736

CC(CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)c1ccc([N+](=O)[O-])c2nonc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1L1 Q9UHC9 1/20 0.55
▸ PTPN1 P18031 1/20 0.51
▸ CYP17A1 P05093 6/20 0.48
▸ MAPT P10636 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ ATIC P31939 1/20 0.44
▸ LMNA P02545 3/20 0.43
▸ HSD17B10 Q99714 3/20 0.43
▸ NR3C1 P04150 2/20 0.43
▸ SHBG P04278 2/20 0.43
▸ PGR P06401 2/20 0.43
▸ SERPINA6 P08185 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ AR P10275 2/20 0.43
▸ CYP19A1 P11511 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ SNCA P37840 2/20 0.43
▸ CACNA1C Q13936 2/20 0.43
▸ CYP51A1 Q16850 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
SCHEMBL16506704 0.91 ATIC (0.48) NPC1L1PTPN1CYP17A1MAPTKDM4E
SCHEMBL1542841 0.91 ATIC (0.48) NPC1L1PTPN1CYP17A1MAPTKDM4E
SCHEMBL1542632 0.87 USP2 (0.61) NPC1L1CYP17A1LMNAST6GAL1ST3GAL1
SCHEMBL12436829 0.83 OSBP (0.59) NPC1L1LMNATSHRUSP2
SCHEMBL1542358 0.82 NPC1L1 (0.54) NPC1L1PTPN1CYP17A1MAPTKDM4E
SCHEMBL17693794 0.78 OSBP (0.60) NPC1L1LMNAUSP2
SCHEMBL1310798 0.77 FNTA (0.53) NPC1L1LMNAST6GAL1ST3GAL1ST3GAL3
SCHEMBL1542735 0.77 NPC1L1 (0.74) NPC1L1PTPN1CYP17A1MAPTKDM4E
4-Cholesten 3-One SCHEMBL23452819 0.76 NPC1L1 (0.79) NPC1L1PTPN1CYP17A1MAPTKDM4E
4-Cholesten 3-One SCHEMBL2600424 0.76 NPC1L1 (0.79) NPC1L1PTPN1CYP17A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2747750-A2 LIPOSOME COMPRISING AT LEAST A CHOLESTEROL DERIVATIVE Trophos (FR) 2014-07-02 — — EP claimed
WO-2013026989-A2 LIPOSOME COMPRISING AT LEAST ONE CHOLESTEROL DERIVATIVE TROPHOS (FR) 2013-02-28 — — WO claimed
US-9447140-B2 Cholest-4-en-3-one oxime derivatives, pharmaceutical compositions containing same, and preparation method TROPHOS (FR) 2016-09-20 — — US disclosed
EP-2747750-A2 LIPOSOME COMPRISING AT LEAST A CHOLESTEROL DERIVATIVE Trophos (FR) 2014-07-02 — — EP disclosed
WO-2013026989-A2 LIPOSOME COMPRISING AT LEAST ONE CHOLESTEROL DERIVATIVE TROPHOS (FR) 2013-02-28 — — WO 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

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-20110224180-A1 NOVEL CHOLEST-4-EN-3-ONE OXIME DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND PREPARATION METHOD NR1H3, NR1H2, CYP27A1 NPC1L1 22/4885PTPN1 2452/4885CYP17A1 328/4885

“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.