SCHEMBL2585252

SCHEMBL2585252

CCOC(=O)C(C)NC(=O)c1noc2c1CN(S(=O)(=O)c1cccs1)CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.46
KMT2A Q03164 5/20 0.40
TSHR P16473 4/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 2/20 0.39
MAPT P10636 1/20 0.39
USP2 O75604 2/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HSP90AA1 P07900 1/20 0.37

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
SCHEMBL2579153 0.81 KMT2A (0.45) PKMKMT2ATSHRLMNASMN1; SMN2
SCHEMBL4264521 0.79 TSHR (0.50) PKMKMT2ATSHRLMNASMN1; SMN2
SCHEMBL2585338 0.78 KMT2A (0.48) PKMKMT2ATSHRLMNASMN1; SMN2
SCHEMBL2582055 0.76 TSHR (0.50) KMT2ATSHRLMNASMN1; SMN2MEN1
SCHEMBL5243723 0.73 TSHR (0.47) PKMKMT2ATSHRLMNASMN1; SMN2
SCHEMBL325035 0.71 ALDH1A1 (0.40) PKMKMT2ATSHRLMNASMN1; SMN2
SCHEMBL2582491 0.70 ALDH1A1 (0.48) PKMKMT2ATSHRLMNASMN1; SMN2
SCHEMBL5527687 0.69 PKM (0.44) PKMKMT2ATSHRLMNAMEN1
SCHEMBL2585254 0.69 POLB (0.44) KMT2ATSHRLMNASMN1; SMN2ALDH1A1
SCHEMBL2582303 0.68 ALDH1A1 (0.58) PKMKMT2ATSHRLMNASMN1; 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 10 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-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 claimed
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 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 PKM 1032/4885KMT2A 4073/4885TSHR 3849/4885

“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.