SCHEMBL2585675

SCHEMBL2585675

CN(C)S(=O)(=O)N1CCc2onc(C(=O)NCc3ccc(C(F)(F)F)c(F)c3)c2C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
LMNA P02545 4/20 0.46
HPGD P15428 2/20 0.46
KMT2A Q03164 4/20 0.43
TSHR P16473 3/20 0.43
MEN1 O00255 2/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
P2RX7 Q99572 2/20 0.43
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 2/20 0.41
NPC1 O15118 1/20 0.41
ATM Q13315 1/20 0.41
HSP90AA1 P07900 2/20 0.40
TP53 P04637 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
SCHEMBL15300243 0.86 P2RX7 (0.41) ALDH1A1LMNAHPGDKMT2ATSHR
SCHEMBL2585178 0.86 ALDH1A1 (0.47) ALDH1A1LMNAHPGDKMT2ATSHR
SCHEMBL2581639 0.76 GAA (0.50) ALDH1A1LMNAKMT2ATSHRMEN1
SCHEMBL15300326 0.73 NAMPT (0.41) ALDH1A1LMNAHPGDKMT2AMAPK1
SCHEMBL2400830 0.73 P2RX7 (0.40) ALDH1A1LMNAP2RX7RAB9AGAA
SCHEMBL2589376 0.71 HSP90AA1 (0.48) ALDH1A1HPGDKMT2AMAPK1SMN1; SMN2
SCHEMBL4261225 0.71 KMT2A (0.35) ALDH1A1LMNAHPGDKMT2AMEN1
SCHEMBL2576115 0.68 LMNA (0.52) ALDH1A1LMNAHPGDKMT2ATSHR
SCHEMBL6409891 0.68 P2RX7 (0.38) ALDH1A1P2RX7
SCHEMBL2578732 0.65 LMNA (0.44) ALDH1A1LMNAMAPTSMN1; SMN2GAA

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 ALDH1A1 1107/4885LMNA 2302/4885HPGD 187/4885

“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.