SCHEMBL2586012

SCHEMBL2586012

CCCCOc1ccc(S(=O)(=O)N2CCc3onc(C(=O)NCC(C)C)c3C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ADRB3 P13945 2/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
HSP90AA1 P07900 2/20 0.40
LMNA P02545 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
MMP3 P08254 4/20 0.39
MMP1 P03956 2/20 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
SCHEMBL5532106 0.88 TSHR (0.42) MEN1KMT2AALDH1A1TSHRMAPK1
SCHEMBL4264943 0.86 L3MBTL1 (0.50) ALDH1A1HTTSMN1; SMN2TSHRMAPK1
SCHEMBL2588885 0.81 PKM (0.55) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL2584665 0.81 NPC1 (0.48) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL2582179 0.80 RAB9A (0.47) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL4259737 0.73 PKM (0.48) MAPTALDH1A1RAB9ANPC1HTT
SCHEMBL2585254 0.73 POLB (0.44) KMT2AALDH1A1SMN1; SMN2TSHRHSP90AA1
SCHEMBL2581162 0.72 RAB9A (0.58) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL2576007 0.71 ALDH1A1 (0.59) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL2576115 0.71 LMNA (0.52) MEN1KMT2AMAPTALDH1A1RAB9A

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 MEN1 2795/4885KMT2A 4073/4885MAPT 3693/4885

“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.