SCHEMBL2585254

SCHEMBL2585254

CCOC(=O)CCNC(=O)c1noc2c1CN(S(=O)(=O)c1ccc(Cl)cc1)CC2

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
GAA P10253 2/20 0.42
PTPN11 Q06124 1/20 0.42
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 2/20 0.41
HSP90AA1 P07900 4/20 0.41
LMNA P02545 2/20 0.40
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
HSD17B10 Q99714 1/20 0.39
OPRK1 P41145 2/20 0.39

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
SCHEMBL2588885 0.78 PKM (0.55) POLBGAAALDH1A1LMNATSHR
SCHEMBL2584665 0.76 NPC1 (0.48) GAAKMT2ATSHRSMN1; SMN2HSD17B10
SCHEMBL2581639 0.76 GAA (0.50) POLBGAAALDH1A1KMT2AHSP90AA1
SCHEMBL2586740 0.74 MAPT (0.53) POLBGAAALDH1A1KMT2ALMNA
SCHEMBL2584725 0.74 HSP90AA1 (0.48) GAAALDH1A1KMT2AHSP90AA1LMNA
SCHEMBL2578771 0.73 HSP90AA1 (0.49) POLBGAAALDH1A1KMT2AHSP90AA1
SCHEMBL2582179 0.73 RAB9A (0.47) POLBGAAALDH1A1KMT2ATSHR
SCHEMBL2576007 0.73 ALDH1A1 (0.59) POLBGAAALDH1A1KMT2ALMNA
SCHEMBL2576115 0.73 LMNA (0.52) GAAALDH1A1KMT2ALMNATSHR
SCHEMBL2586012 0.73 MEN1 (0.47) ALDH1A1KMT2AHSP90AA1LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1869053-B1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-ISOXAZOLO[4,5-C]PYRIDINE COMPOUNDS AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS GRUENENTHAL GMBH (DE) 2013-10-09 EP claimed
US-8048879-B2 Substituted 4,5,6,7-tetrahydro-isoxazolo[4,5-c]pyridine compounds and use thereof for producing medicaments GRUENENTHAL GMBH (DE) 2011-11-01 US claimed
US-20090076001-A1 Substituted 4,5,6,7 -Tetrahydro-Isoxazolo[4,5-C]Pyridine Compounds and Use Thereof for Producing Medicaments GRUENENTHAL GMBH (DE) 2009-03-19 US claimed
EP-1869053-B1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-ISOXAZOLO[4,5-C]PYRIDINE COMPOUNDS AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS GRUENENTHAL GMBH (DE) 2013-10-09 EP disclosed
US-8048879-B2 Substituted 4,5,6,7-tetrahydro-isoxazolo[4,5-c]pyridine compounds and use thereof for producing medicaments GRUENENTHAL GMBH (DE) 2011-11-01 US disclosed
US-20090076001-A1 Substituted 4,5,6,7 -Tetrahydro-Isoxazolo[4,5-C]Pyridine Compounds and Use Thereof for Producing Medicaments GRUENENTHAL GMBH (DE) 2009-03-19 US disclosed
EP-1869053-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-ISOXAZOLO[4,5-C]PYRIDINE COMPOUNDS AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2007-12-26 EP disclosed
WO-2006105945-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-ISOXAZOLO[4,5-C]PYRIDINE COMPOUNDS AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2006-10-12 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 (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-20090076001-A1 Substituted 4,5,6,7 -Tetrahydro-Isoxazolo[4,5-C]Pyridine Compounds and Use Thereof for Producing Medicaments P2RX5, P2RX4, P2RX7 POLB 4291/4885GAA 1506/4885PTPN11 2089/4885

“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.