SCHEMBL1802895

SCHEMBL1802895

CC(C)(C)OC(=O)NCCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 2/20 0.55
LPL P06858 1/20 0.55
PRMT5 O14744 1/20 0.48
WDR77 Q9BQA1 1/20 0.48
AAK1 Q2M2I8 2/20 0.43
SIGMAR1 Q99720 2/20 0.42
MAPT P10636 2/20 0.42
ATM Q13315 1/20 0.42
CYP3A4 P08684 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
NQO2 P16083 1/20 0.40

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
SCHEMBL18588465 0.94 LIPG (0.49) LIPGLPLPRMT5WDR77AAK1
SCHEMBL2144320 0.93 LIPG (0.51) LIPGLPLPRMT5WDR77AAK1
SCHEMBL29591259 0.86 PRMT5 (0.57) LIPGLPLPRMT5WDR77AAK1
SCHEMBL2592478 0.86 PRMT5 (0.57) LIPGLPLPRMT5WDR77AAK1
SCHEMBL16947897 0.86 LPL (0.51) LIPGLPLPRMT5WDR77AAK1
SCHEMBL15584874 0.86 LIPG (0.46) LIPGLPLPRMT5WDR77AAK1
SCHEMBL16169736 0.84 PRMT5 (0.46) LIPGLPLPRMT5WDR77AAK1
SCHEMBL4124783 0.84 CA12 (0.48) PRMT5WDR77AAK1
SCHEMBL16014297 0.84 PRMT5 (0.48) LIPGLPLPRMT5WDR77AAK1
SCHEMBL17606848 0.83 PRMT5 (0.46) LIPGLPLPRMT5WDR77AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150072997-A1 ANTI-MALARIAL COMPOUNDS POLYMEDIX, INC. 2015-03-12 US disclosed
US-20150072997-A1 ANTI-MALARIAL COMPOUNDS POLYMEDIX, INC. 2015-03-12 US disclosed
US-8796275-B2 Anti-malarial compounds THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2014-08-05 US disclosed
US-8796275-B2 Anti-malarial compounds THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2014-08-05 US disclosed
US-8796275-B2 Anti-malarial compounds THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2014-08-05 US disclosed
EP-2321275-A1 ANTI-MALARIAL COMPOUNDS Polymedix, Inc. (US) 2011-05-18 EP disclosed
US-20100081665-A1 Anti-Malarial Compounds CELLCEUTIX CORPORATION 2010-04-01 US disclosed
US-20100081665-A1 Anti-Malarial Compounds CELLCEUTIX CORPORATION 2010-04-01 US disclosed
US-20100081665-A1 Anti-Malarial Compounds CELLCEUTIX CORPORATION 2010-04-01 US disclosed
WO-2010014573-A1 ANTI-MALARIAL COMPOUNDS POLYMEDIX, INC. (US) 2010-02-04 WO disclosed
WO-2010014573-A1 ANTI-MALARIAL COMPOUNDS POLYMEDIX, INC. (US) 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 (2 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-20100081665-A1 Anti-Malarial Compounds AADAC, ME2, HTRA2 LIPG 3310/4885LPL 3185/4885PRMT5 1428/4885
US-20150072997-A1 ANTI-MALARIAL COMPOUNDS AADAC, ME2, HTRA2 LIPG 3310/4885LPL 3185/4885PRMT5 1428/4885

“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.