SCHEMBL2526467

SCHEMBL2526467

CC(C)(C)OC(=O)N1CCC(OC(=O)Cl)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.50
RECQL P46063 1/20 0.48
EPHX1 P07099 1/20 0.48
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
EPHX2 P34913 1/20 0.46
PIK3CD O00329 1/20 0.46
ALDH1A1 P00352 2/20 0.45
GPR119 Q8TDV5 4/20 0.45
NR1H2 P55055 1/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.44
THRB P10828 1/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 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
SCHEMBL2217468 0.94 HPGD (0.53) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL22388002 0.91 HPGD (0.51) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL21993750 0.91 HPGD (0.51) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL2523813 0.91 HPGD (0.51) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL22370491 0.90 HPGD (0.54) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL22439024 0.90 HPGD (0.54) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL9885679 0.87 NR1H2 (0.53) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL13219346 0.86 HPGD (0.51) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL7299784 0.86 HPGD (0.51) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL65675 0.86 HPGD (0.51) HPGDRECQLEPHX1USP2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039503-B2 Lapachone compounds and methods of use thereof ARQULE, INC. (US) 2011-10-18 US disclosed
US-20110105470-A1 Novel Lapachone Compounds And Methods of Use Thereof ARQULE, INC. (US) 2011-05-05 US disclosed
US-7902354-B2 Lapachone compounds and methods of use thereof ARQULE, INC. (US) 2011-03-08 US disclosed
US-20090105166-A1 Novel lapachone compounds and methods of use thereof ARQULE, INC. 2009-04-23 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 (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-20110105470-A1 Novel Lapachone Compounds And Methods of Use Thereof BAD, NQO1, CASP3 HPGD 102/4885RECQL 1351/4885EPHX1 2208/4885
US-20090105166-A1 Novel lapachone compounds and methods of use thereof BAD, NQO1, CASP3 HPGD 102/4885RECQL 1351/4885EPHX1 2208/4885

“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.