SCHEMBL2585117

SCHEMBL2585117

Cc1cc(C)c(S(=O)(=O)N2CCc3onc(C(=O)N4CCN(c5nccs5)CC4)c3C2)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
TP53 P04637 3/20 0.43
GAA P10253 1/20 0.42
KMT2A Q03164 3/20 0.39
LMNA P02545 2/20 0.38
SLC6A7 Q99884 1/20 0.38
MEN1 O00255 2/20 0.37
SCD O00767 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
HPGD P15428 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL2585147 0.82 LMNA (0.40) MAPTTP53KMT2ALMNASLC6A7
SCHEMBL2588200 0.81 GAA (0.46) MAPTTP53GAAKMT2ALMNA
SCHEMBL2579158 0.80 SLC6A7 (0.42) MAPTTP53KMT2ALMNASLC6A7
Hydrochloric Acid SCHEMBL2588299 0.76 ALDH1A1 (0.40) MAPTTP53GAAKMT2ALMNA
SCHEMBL2585530 0.75 MEN1 (0.40) MAPTTP53KMT2ALMNAMEN1
SCHEMBL3102323 0.71 CYP3A4 (0.50) MAPTTP53KMT2ALMNAALDH1A1
SCHEMBL2586737 0.70 TP53 (0.55) MAPTTP53LMNATHRB
SCHEMBL3087962 0.69 ALDH1A1 (0.39) MAPTTP53GAALMNAALDH1A1
SCHEMBL2585782 0.68 MAPT (0.48) MAPTTP53KMT2ALMNAMEN1
SCHEMBL2581957 0.67 GAA (0.46) GAALMNAMEN1ALDH1A1NPC1

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
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
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 MAPT 3693/4885TP53 3916/4885GAA 1506/4885

“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.