SCHEMBL2582295

SCHEMBL2582295

O=C(NC(Cc1ccccc1)Cc1ccccc1)c1noc2c1CN(S(=O)(=O)c1cccc(C(F)(F)F)c1)CC2

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
PPARG P37231 4/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 3/20 0.40
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MCL1 Q07820 1/20 0.39
KCNA5 P22460 1/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL2587146 0.84 SMN1; SMN2 (0.43) KMT2AMEN1SMN1; SMN2LMNAALDH1A1
SCHEMBL4261853 0.84 LMNA (0.48) GAAPPARGPPARDPPARAHTT
SCHEMBL2579238 0.80 SMN1; SMN2 (0.42) GAAPPARGPPARDPPARASMN1; SMN2
SCHEMBL2582296 0.80 CRHBP (0.44) GAAPPARGPPARDPPARAHTT
SCHEMBL2585772 0.79 TDP1 (0.41) GAAHTTKMT2AMEN1SMN1; SMN2
SCHEMBL2586739 0.78 GAA (0.39) GAAPPARGPPARDPPARAHTT
SCHEMBL2578732 0.78 LMNA (0.44) GAAPPARGHTTSMN1; SMN2LMNA
SCHEMBL5533718 0.77 LMNA (0.46) GAAPPARGPPARDPPARAHTT
SCHEMBL5246034 0.74 GPR142 (0.46) GAAKMT2AMEN1LMNA
SCHEMBL5524794 0.74 GAA (0.40) GAAPPARGPPARDPPARAHTT

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 5 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
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 GAA 1506/4885PPARG 272/4885PPARD 453/4885

“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.