SCHEMBL8864697

SCHEMBL8864697

CCOC(=O)COc1ccc(NS(C)(=O)=O)cc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
HPGD P15428 2/20 0.60
RECQL P46063 1/20 0.60
LMNA P02545 1/20 0.57
MAPK1 P28482 1/20 0.57
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
POLB P06746 1/20 0.55
ALDH1A1 P00352 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
IDH1 O75874 2/20 0.52
AR P10275 1/20 0.51
TSHR P16473 2/20 0.51
EPHX2 P34913 1/20 0.50

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
SCHEMBL11364586 0.82 KMT2A (0.69) GAANPSR1RECQLLMNAPOLB
SCHEMBL7309018 0.81 GAA (0.62) GAANPSR1HPGDLMNAPOLB
SCHEMBL12678490 0.81 LMNA (0.81) NPSR1HPGDRECQLLMNAMAPK1
SCHEMBL8864731 0.81 HPGD (0.51) GAANPSR1HPGDRECQLLMNA
SCHEMBL8864682 0.81 GAA (0.55) GAANPSR1HPGDMAPK1POLB
SCHEMBL3295760 0.80 GAA (0.60) GAANPSR1HPGDLMNAPOLB
SCHEMBL4860756 0.80 GAA (0.60) GAANPSR1HPGDLMNAPOLB
SCHEMBL11815554 0.79 GAA (0.72) GAANPSR1HPGDPOLBALDH1A1
SCHEMBL5842450 0.79 HPGD (0.63) HPGDRECQLLMNAMAPK1ALDH1A1
SCHEMBL4577297 0.79 HPGD (0.63) HPGDRECQLLMNAMAPK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2760856-B1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2016-09-14 EP disclosed
US-8722670-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-13 US disclosed
US-8722670-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-13 US disclosed
WO-2013049119-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 WO disclosed
US-20130085138-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 US disclosed
US-20130085138-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 US disclosed
US-5624922-A Aryl-fused and hetaryl-fused-2,4-diazepine and 2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC. (US) 1997-04-29 US disclosed
EP-0597540-B1 Aryl-fused and hetaryl-fused-2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC (US) 1996-06-05 EP disclosed
US-5380721-A Aryl-fused and hetaryl-fused-2,4-diazepine and 2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC. (US) 1995-01-10 US disclosed
EP-0597540-A1 Aryl-fused and hetaryl-fused-2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC. (US) 1994-05-18 EP 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-20130085138-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A GAA 1312/4885NPSR1 52/4885HPGD 1406/4885

“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.