SCHEMBL4259737

SCHEMBL4259737

COc1ccc(S(=O)(=O)N2CCc3onc(C(=O)O)c3C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 6/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
PKLR P30613 1/20 0.48
ALDH1A1 P00352 6/20 0.47
HTT P42858 1/20 0.45
AKR1C3 P42330 2/20 0.44
HSD11B1 P28845 1/20 0.44
LMNA P02545 1/20 0.44
KDM4E B2RXH2 2/20 0.44
USP2 O75604 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
RECQL P46063 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
NR4A1 P22736 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL4268544 0.88 CD4 (0.45) PKMALDH1A1HTTAKR1C3HSD11B1
SCHEMBL4264943 0.87 L3MBTL1 (0.50) PKMALDH1A1HTTLMNAL3MBTL1
SCHEMBL4260241 0.86 SMN1; SMN2 (0.46) AKR1C3SMN1; SMN2
SCHEMBL4264547 0.86 KMT2A (0.48) PKMNPC1RAB9AALDH1A1AKR1C3
SCHEMBL2589382 0.86 LMNA (0.53) PKMNPC1RAB9APKLRALDH1A1
SCHEMBL4261182 0.85 MEN1 (0.47) PKMALDH1A1AKR1C3KDM4EL3MBTL1
SCHEMBL5529341 0.85 PKM (0.47) PKMNPC1RAB9APKLRALDH1A1
SCHEMBL2588885 0.84 PKM (0.55) PKMNPC1RAB9AALDH1A1LMNA
SCHEMBL2581162 0.83 RAB9A (0.58) PKMNPC1RAB9AALDH1A1KDM4E
SCHEMBL2582491 0.83 ALDH1A1 (0.48) PKMNPC1RAB9APKLRALDH1A1

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-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-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 1032/4885NPC1 1245/4885RAB9A 4445/4885

“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.