SCHEMBL2578732

SCHEMBL2578732

O=C(NCc1ccc(Cl)cc1Cl)c1noc2c1CN(S(=O)(=O)c1cccc(C(F)(F)F)c1)CC2

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
EPHX2 P34913 3/20 0.43
TP53 P04637 1/20 0.42
PPARG P37231 2/20 0.42
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
DDR1 Q08345 1/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CCR2 P41597 2/20 0.40
RORC P51449 1/20 0.40

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
SCHEMBL5527187 0.88 LMNA (0.43) LMNAEPHX2GAAHTTALDH1A1
SCHEMBL4261853 0.80 LMNA (0.48) LMNAPPARGMAPTGAAHTT
SCHEMBL2589561 0.78 HSP90AA1 (0.38) LMNAPPARGGAAHTTSMN1; SMN2
SCHEMBL2582295 0.78 GAA (0.42) LMNAPPARGGAAHTTALDH1A1
SCHEMBL2588879 0.76 HSP90AA1 (0.42) LMNAEPHX2GAAHTTKDM4E
SCHEMBL2579157 0.76 SMN1; SMN2 (0.42) LMNAEPHX2TP53MAPTGAA
SCHEMBL2588237 0.75 SMN1; SMN2 (0.47) GAAALDH1A1SMN1; SMN2
SCHEMBL2579238 0.74 SMN1; SMN2 (0.42) PPARGMAPTGAASMN1; SMN2RORC
SCHEMBL4264532 0.74 AKR1C3 (0.50) LMNAPPARGALDH1A1
SCHEMBL2585178 0.73 ALDH1A1 (0.47) LMNATP53GAAALDH1A1SMN1; SMN2

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 LMNA 2302/4885EPHX2 1241/4885TP53 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.