SCHEMBL2581957

SCHEMBL2581957

O=C(c1noc2c1CN(S(=O)(=O)c1ccc(F)cc1)CC2)N1CCN(c2ncnc3sccc23)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
GALR3 O60755 1/20 0.46
PKM P14618 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
STAT3 P40763 3/20 0.45
LMNA P02545 2/20 0.42
ALDH1A1 P00352 3/20 0.39
USP2 O75604 2/20 0.39
HRH1 P35367 1/20 0.38
MEN1 O00255 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NR2F2 P24468 1/20 0.37
PIP4K2A P48426 1/20 0.37
HTR2C P28335 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
SCHEMBL4261182 0.74 MEN1 (0.47) GAAPKMALDH1A1MEN1KDM4E
SCHEMBL2582128 0.73 LMNA (0.50) GAASMN1; SMN2NPC1PKMRAB9A
SCHEMBL2585147 0.72 LMNA (0.40) PKMLMNAALDH1A1MEN1
SCHEMBL2585746 0.72 LMNA (0.41) GAASMN1; SMN2PKMRAB9ALMNA
SCHEMBL2588200 0.72 GAA (0.46) GAASMN1; SMN2PKMHTTRAB9A
SCHEMBL2585782 0.69 MAPT (0.48) SMN1; SMN2HTTLMNAALDH1A1MEN1
SCHEMBL2589382 0.69 LMNA (0.53) GAASMN1; SMN2NPC1PKMHTT
SCHEMBL2579158 0.69 SLC6A7 (0.42) SMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL13431592 0.68 SMN1; SMN2 (0.67) GAASMN1; SMN2NPC1GALR3PKM
SCHEMBL2585117 0.67 MAPT (0.43) GAANPC1HTTLMNAALDH1A1

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 6 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

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 GAA 1506/4885SMN1; SMN2 4525/4885NPC1 1245/4885

“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.