SCHEMBL595269

SCHEMBL595269

O=C(C[C@H](O)[C@H](O)CO)c1cc2ccccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.56
FLT3 P36888 3/20 0.54
KDM4E B2RXH2 4/20 0.53
MAPT P10636 1/20 0.53
DAO P14920 1/20 0.53
HPGD P15428 1/20 0.53
SRD5A2 P31213 1/20 0.53
HSD17B10 Q99714 1/20 0.53
ALDH1A1 P00352 2/20 0.51
GAA P10253 1/20 0.51
MAPK1 P28482 1/20 0.51
MAOB P27338 1/20 0.49
LMNA P02545 2/20 0.48
TP53 P04637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
AKR1C3 P42330 1/20 0.46
DRD2 P14416 1/20 0.46
PDGFRB P09619 2/20 0.46
PDGFRA P16234 2/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL30786332 0.80 IDO1 (0.60) IDO1FLT3KDM4EMAPTDAO
SCHEMBL6923977 0.79 IDO1 (0.68) IDO1FLT3KDM4EMAPTDAO
SCHEMBL31342976 0.79 IDO1 (0.49) IDO1FLT3KDM4EMAPTDAO
SCHEMBL29008283 0.78 FLT3 (0.53) IDO1FLT3KDM4EMAPTDAO
SCHEMBL30148164 0.78 IDO1 (0.66) IDO1FLT3KDM4EMAPTDAO
SCHEMBL7844858 0.78 IDO1 (0.66) IDO1FLT3KDM4EMAPTDAO
SCHEMBL17958877 0.77 FLT3 (0.51) IDO1FLT3KDM4EMAPTDAO
SCHEMBL9788957 0.74 IDO1 (0.66) IDO1FLT3KDM4EMAPTDAO
SCHEMBL2730199 0.74 IDO1 (0.66) IDO1FLT3KDM4EMAPTDAO
SCHEMBL9098845 0.74 IDO1 (0.66) IDO1FLT3KDM4EMAPTDAO

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
US-9988680-B2 Non-natural nucleosides as theranostic agents CASE WESTERN RESERVE UNIVERSITY (US) 2018-06-05 US disclosed
US-9029345-B2 Selective inhibitors of translesion DNA replication CASE WESTERN RESERVE UNIVERSITY (US) 2015-05-12 US disclosed
US-8981078-B2 Selective inhibitors of translesion DNA replication CASE WESTERN RESERVE UNIVERSITY (US) 2015-03-17 US disclosed
EP-2825546-A2 NON-NATURAL NUCLEOSIDES AS THERANOSTIC AGENTS Case Western Reserve University (US) 2015-01-21 EP disclosed
US-20140329236-A1 NON-NATURAL NUCLEOSIDES AS THERANOSTIC AGENTS CASE WESTERN RESERVE UNIVERSITY 2014-11-06 US disclosed
WO-2013033705-A2 NON-NATURAL NUCLEOSIDES AS THERANOSTIC AGENTS CASE WESTERN RESERVE UNIVERSITY (US) 2013-03-07 WO disclosed
US-20130004945-A1 SELECTIVE INHIBITORS OF TRANSLESION DNA REPLICATION BERDIS ANTHONY J (US) 2013-01-03 US disclosed
US-8114847-B2 Selective inhibitors of translesion DNA replication CASE WESTERN RESERVE UNIVERSITY (US) 2012-02-14 US disclosed
US-20100111839-A1 SELECTIVE INHIBITORS OF TRANSLESION DNA REPLICATION BERDIS ANTHONY J 2010-05-06 US disclosed
US-20090048202-A1 SELECTIVE INHIBITORS OF TRANSLESION DNA REPLICATION CASE WESTERN RESERVE UNIVERSITY 2009-02-19 US disclosed
WO-2008147454-A1 SELECTIVE INHIBITORS OF TRANSLESION DNA REPLICATION CASE WESTERN RESERVE UNIVERSITY (US) 2008-12-04 WO disclosed
WO-2006101911-A1 SELECTIVE INHIBITORS OF TRANSLESION DNA REPLICATION CASE WESTERN RESERVE UNIVERSITY (US) 2006-09-28 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-20140329236-A1 NON-NATURAL NUCLEOSIDES AS THERANOSTIC AGENTS TYMP, TYMS, UNG IDO1 2314/4885FLT3 1329/4885KDM4E 4106/4885
US-20100111839-A1 SELECTIVE INHIBITORS OF TRANSLESION DNA REPLICATION RPA1, RPA3, PCNA IDO1 4346/4885FLT3 3025/4885KDM4E 3663/4885
US-20090048202-A1 SELECTIVE INHIBITORS OF TRANSLESION DNA REPLICATION REV1, PCNA, DNA2 IDO1 2964/4885FLT3 3081/4885KDM4E 1700/4885

“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.