SCHEMBL2579157

SCHEMBL2579157

O=C(NCc1cccc(Cl)c1Cl)c1noc2c1CN(S(=O)(=O)c1ccc(OC(F)(F)F)cc1)CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
EGLN1 Q9GZT9 1/20 0.40
PKM P14618 2/20 0.39
EPHX2 P34913 1/20 0.38
LIPE Q05469 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
GAA P10253 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
HSP90AA1 P07900 2/20 0.37
MAPT P10636 2/20 0.37

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
SCHEMBL5526549 0.88 EPHX2 (0.37) SMN1; SMN2EGLN1PKMEPHX2LIPE
SCHEMBL4260241 0.79 SMN1; SMN2 (0.46) SMN1; SMN2EGLN1EPHX2LIPEHDAC3
SCHEMBL2587146 0.78 SMN1; SMN2 (0.43) SMN1; SMN2EGLN1EPHX2LIPEHDAC3
SCHEMBL2588829 0.78 MAPT (0.48) PKMGAAMAPTALDH1A1LMNA
SCHEMBL2578768 0.77 TRPV1 (0.42) SMN1; SMN2EGLN1GAATRPV1MAPT
SCHEMBL2586748 0.77 GAA (0.41) SMN1; SMN2EGLN1EPHX2LIPEGAA
SCHEMBL2579176 0.77 SMN1; SMN2 (0.41) SMN1; SMN2EGLN1EPHX2LIPEGAA
SCHEMBL2578732 0.76 LMNA (0.44) SMN1; SMN2EPHX2GAAMAPTALDH1A1
SCHEMBL2583662 0.75 BCHE (0.47) EPHX2HDAC3HDAC4HDAC7HDAC9
SCHEMBL5531317 0.72 AKR1C3 (0.43) SMN1; SMN2EGLN1EPHX2LIPEHDAC3

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 SMN1; SMN2 4525/4885EGLN1 1499/4885PKM 1032/4885

“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.