SCHEMBL2581162

SCHEMBL2581162

COc1ccc(S(=O)(=O)N2CCc3onc(C(=O)Nc4ccc(C)cc4)c3C2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
ALDH1A1 P00352 4/20 0.58
NPC1 O15118 3/20 0.58
MAPT P10636 3/20 0.58
RECQL P46063 2/20 0.58
POLB P06746 2/20 0.58
NR4A1 P22736 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
GAA P10253 4/20 0.57
TP53 P04637 3/20 0.53
KDM4E B2RXH2 2/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HSD17B10 Q99714 1/20 0.53
KMT2A Q03164 6/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51

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
SCHEMBL2576007 0.93 ALDH1A1 (0.59) RAB9ASMN1; SMN2ALDH1A1NPC1MAPT
SCHEMBL2584665 0.86 NPC1 (0.48) RAB9ASMN1; SMN2NPC1MAPTGAA
SCHEMBL5529260 0.86 KMT2A (0.49) RAB9ASMN1; SMN2ALDH1A1MAPTPOLB
SCHEMBL4259737 0.83 PKM (0.48) RAB9ASMN1; SMN2ALDH1A1NPC1MAPT
SCHEMBL2588885 0.83 PKM (0.55) RAB9ASMN1; SMN2ALDH1A1NPC1MAPT
SCHEMBL2582491 0.82 ALDH1A1 (0.48) RAB9ASMN1; SMN2ALDH1A1NPC1MAPT
SCHEMBL4268544 0.80 CD4 (0.45) ALDH1A1POLBGAAKMT2APKM
SCHEMBL2589382 0.79 LMNA (0.53) RAB9ASMN1; SMN2ALDH1A1NPC1MAPT
SCHEMBL2582179 0.78 RAB9A (0.47) RAB9ASMN1; SMN2ALDH1A1NPC1MAPT
SCHEMBL2578696 0.78 SMN1; SMN2 (0.66) RAB9ASMN1; SMN2ALDH1A1NPC1MAPT

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 RAB9A 4445/4885SMN1; SMN2 4525/4885ALDH1A1 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.