SCHEMBL2582290

SCHEMBL2582290

COc1ccc(S(=O)(=O)N2CCc3onc(C(=O)NC(CCC(=O)OC(C)(C)C)C(N)=O)c3C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.41
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
MAPT P10636 3/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 4/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
NPC1 O15118 3/20 0.37
ALDH1A1 P00352 3/20 0.37
RECQL P46063 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
POLB P06746 1/20 0.37
NR4A1 P22736 1/20 0.37
GAA P10253 2/20 0.36
TP53 P04637 2/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35

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
SCHEMBL2582491 0.79 ALDH1A1 (0.48) MAPTTSHRRAB9AATMSMN1; SMN2
SCHEMBL2588885 0.76 PKM (0.55) MAPTTSHRRAB9AATMSMN1; SMN2
SCHEMBL2578684 0.76 KDM4E (0.42) RAB9AATMSMN1; SMN2NPC1ALDH1A1
SCHEMBL4259737 0.75 PKM (0.48) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL2581162 0.74 RAB9A (0.58) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL2584665 0.73 NPC1 (0.48) MAPTTSHRRAB9AATMSMN1; SMN2
SCHEMBL2582179 0.72 RAB9A (0.47) MAPTTSHRRAB9AATMSMN1; SMN2
SCHEMBL2589382 0.71 LMNA (0.53) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL2588829 0.70 MAPT (0.48) MAPTTSHRRAB9AATMNPC1
SCHEMBL2587146 0.69 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA

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 P2RY12 57/4885F2 736/4885F10 1503/4885

“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.