SCHEMBL2585147

SCHEMBL2585147

O=C(c1noc2c1CN(S(=O)(=O)c1ccc(Cl)c(Cl)c1)CC2)N1CCN(c2nccs2)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
MAPT P10636 5/20 0.40
TP53 P04637 3/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.39
SLC6A7 Q99884 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 2/20 0.38
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
SCD O00767 1/20 0.37
NR3C1 P04150 1/20 0.36
HSD11B1 P28845 1/20 0.36
MEN1 O00255 1/20 0.35
PDE7B Q9NP56 1/20 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
SCHEMBL2588200 0.88 GAA (0.46) LMNAMAPTTP53PKMMAPK1
SCHEMBL2585117 0.82 MAPT (0.43) LMNAMAPTTP53SLC6A7ALDH1A1
SCHEMBL2579158 0.80 SLC6A7 (0.42) LMNAMAPTTP53SLC6A7ALDH1A1
Hydrochloric Acid SCHEMBL2581062 0.76 SLC2A1 (0.40) LMNAMAPTTP53F10
SCHEMBL2581935 0.76 L3MBTL1 (0.42) LMNAMAPTTP53ALDH1A1TSHR
SCHEMBL2581957 0.72 GAA (0.46) LMNAPKMALDH1A1MEN1
SCHEMBL2585782 0.69 MAPT (0.48) LMNAMAPTTP53ALDH1A1KMT2A
SCHEMBL2586737 0.69 TP53 (0.55) LMNAMAPTTP53
SCHEMBL2589382 0.69 LMNA (0.53) LMNAMAPTTP53PKMMAPK1
SCHEMBL4264532 0.67 AKR1C3 (0.50) LMNAALDH1A1KMT2AMEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 LMNA 2302/4885MAPT 3693/4885TP53 3916/4885

“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.