SCHEMBL15427232

SCHEMBL15427232

COc1nc(C)c(O)c(=O)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.38
HCAR2 Q8TDS4 3/20 0.36
SMPD3 Q9NY59 1/20 0.34
RNASEH1 O60930 2/20 0.34
ERCC1 P07992 1/20 0.33
FEN1 P39748 1/20 0.33
ERCC4 Q92889 1/20 0.33
PDE2A O00408 1/20 0.33
SRC P12931 1/20 0.33
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 1/20 0.32
LIPG Q9Y5X9 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
MB P02144 1/20 0.31

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
SCHEMBL16787495 0.76 HCAR2 (0.34) XDHHCAR2ERCC1FEN1ERCC4
SCHEMBL8058002 0.74 ALDH1A1 (0.54) SRCKDM4EKMT2A
SCHEMBL9653630 0.71 NPSR1 (0.49) XDHKMT2A
SCHEMBL15427229 0.68 L3MBTL1 (0.51) RNASEH1SRC
SCHEMBL4286325 0.64 PDE2A (0.39) HCAR2PDE2AKDM4EKMT2A
SCHEMBL24812797 0.63 MAPT (0.53) XDHHCAR2
SCHEMBL3611524 0.61 ALDH1A1 (0.41) SMPD3KMT2A
SCHEMBL785286 0.61 SMN1; SMN2 (0.48) HCAR2KDM4EKMT2A
SCHEMBL148952 0.60 TNKS2 (0.61) SRCKDM4E
SCHEMBL26646814 0.60 KDM4E (0.40) KDM4EGRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2870153-B1 SULFONYL CONTAINING BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL MYERS SQUIBB CO (US) 2016-11-02 EP disclosed
EP-2870152-B1 AMIDE OR UREA SUBSTITUTED BENZOTHIAZOLE DERIVATIVES AS INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL MYERS SQUIBB CO (US) 2016-09-28 EP disclosed
US-9169240-B2 Ketone linked benzothiazole inhibitors of endothelial lipase BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-27 US disclosed
US-20150239879-A1 KETONE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY 2015-08-27 US disclosed
US-8680090-B2 Sulfonyl containing benzothiazole inhibitors of endothelial lipase BRISTOL-MYERS SQUIBB COMPANY (US) 2014-03-25 US disclosed
WO-2014042939-A1 KETONE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY (US) 2014-03-20 WO disclosed
WO-2014011513-A1 SULFONYL CONTAINING BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-16 WO disclosed
WO-2014011461-A1 AMIDE OR UREA SUBSTITUTED BENZOTHIAZOLE DERIVATIVES AS INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-16 WO disclosed
US-20140011799-A1 SULFONYL CONTAINING BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY 2014-01-09 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-20140011799-A1 SULFONYL CONTAINING BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, LPL, LIPE XDH 230/4885HCAR2 3132/4885SMPD3 75/4885
US-20150239879-A1 KETONE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, LPL, LIPE XDH 288/4885HCAR2 2093/4885SMPD3 488/4885

“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.