SCHEMBL2582128

SCHEMBL2582128

O=C(c1noc2c1CN(S(=O)(=O)c1ccc(F)cc1)CC2)N1CC=C(c2ccc(F)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
THRB P10828 1/20 0.50
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 2/20 0.48
ALOX15 P16050 2/20 0.48
USP2 O75604 1/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.48
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
EGLN1 Q9GZT9 1/20 0.42
CNR1 P21554 1/20 0.41
NAMPT P43490 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 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
SCHEMBL4261182 0.81 MEN1 (0.47) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL2585746 0.76 LMNA (0.41) LMNAALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL4268544 0.73 CD4 (0.45) ALDH1A1GAAKMT2APKM
SCHEMBL2581957 0.73 GAA (0.46) LMNAALDH1A1KDM4EUSP2GAA
SCHEMBL5533864 0.72 MEN1 (0.44) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL2589382 0.72 LMNA (0.53) LMNAALDH1A1GAAMAPTHPGD
SCHEMBL4264547 0.71 KMT2A (0.48) ALDH1A1GAANPC1RAB9AMEN1
SCHEMBL2585782 0.70 MAPT (0.48) LMNAALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL2584691 0.70 ALDH1A1 (0.50) LMNAALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL2586740 0.69 MAPT (0.53) LMNAALDH1A1KDM4EUSP2GAA

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 8 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
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 disclosed
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 2302/4885THRB 4328/4885ALDH1A1 1107/4885

“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.