SCHEMBL2589382

SCHEMBL2589382

COc1ccc(S(=O)(=O)N2CCc3onc(C(=O)N4CCN(C(C)=O)CC4)c3C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.45
MAPT P10636 2/20 0.45
HTT P42858 1/20 0.45
PKM P14618 7/20 0.45
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
HPGD P15428 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
POLB P06746 1/20 0.44
TP53 P04637 2/20 0.43
MAPK1 P28482 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 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
SCHEMBL4259737 0.86 PKM (0.48) LMNAALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL2588885 0.79 PKM (0.55) LMNAALDH1A1SMN1; SMN2MAPTPKM
SCHEMBL2582491 0.79 ALDH1A1 (0.48) LMNAALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL2581162 0.79 RAB9A (0.58) ALDH1A1SMN1; SMN2MAPTPKMNPC1
SCHEMBL5529341 0.78 PKM (0.47) LMNAALDH1A1SMN1; SMN2HTTPKM
SCHEMBL2585782 0.77 MAPT (0.48) LMNAALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL2584665 0.76 NPC1 (0.48) SMN1; SMN2MAPTPKMNPC1RAB9A
SCHEMBL18711921 0.75 PKM (0.76) LMNAALDH1A1SMN1; SMN2HTTPKM
SCHEMBL2582179 0.75 RAB9A (0.47) ALDH1A1SMN1; SMN2MAPTPKMNPC1
SCHEMBL4268544 0.74 CD4 (0.45) ALDH1A1HTTPKMPOLBKMT2A

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-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

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 LMNA 2302/4885ALDH1A1 1107/4885SMN1; SMN2 4525/4885

“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.