SCHEMBL2585338

SCHEMBL2585338

O=C(NCC1CC1)c1noc2c1CN(S(=O)(=O)c1cccs1)CC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
LMNA P02545 3/20 0.48
MEN1 O00255 2/20 0.48
TSHR P16473 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PKM P14618 4/20 0.46
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 7/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 2/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MET P08581 1/20 0.41
HPGD P15428 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41

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
SCHEMBL5527687 0.85 PKM (0.44) KMT2ALMNAMEN1TSHRPKM
SCHEMBL2579153 0.82 KMT2A (0.45) KMT2ALMNAMEN1TSHRSMN1; SMN2
SCHEMBL2582055 0.82 TSHR (0.50) KMT2ALMNAMEN1TSHRSMN1; SMN2
SCHEMBL4264521 0.82 TSHR (0.50) KMT2ALMNAMEN1TSHRSMN1; SMN2
SCHEMBL2585252 0.78 PKM (0.46) KMT2ALMNAMEN1TSHRSMN1; SMN2
SCHEMBL325035 0.76 ALDH1A1 (0.40) KMT2ALMNAMEN1TSHRSMN1; SMN2
SCHEMBL5243723 0.74 TSHR (0.47) KMT2ALMNAMEN1TSHRSMN1; SMN2
SCHEMBL2582303 0.71 ALDH1A1 (0.58) KMT2ALMNAMEN1TSHRSMN1; SMN2
SCHEMBL2582300 0.71 ALDH1A1 (0.58) KMT2ALMNAMEN1TSHRSMN1; SMN2
SCHEMBL2587065 0.67 KDM4E (0.47) KMT2ALMNAMEN1TSHRSMN1; 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 KMT2A 4073/4885LMNA 2302/4885MEN1 2795/4885

“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.