SCHEMBL2585178

SCHEMBL2585178

O=C(NCc1ccc(C(F)(F)F)c(F)c1)c1noc2c1CN(S(=O)(=O)c1ccccc1)CC2

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
LMNA P02545 4/20 0.47
HPGD P15428 2/20 0.47
KMT2A Q03164 4/20 0.47
SMN1; SMN2 Q16637 6/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
NAMPT P43490 1/20 0.42
TP53 P04637 1/20 0.42
MEN1 O00255 2/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 3/20 0.40
P2RX7 Q99572 1/20 0.40
PTGER4 P35408 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL15300326 0.87 NAMPT (0.41) ALDH1A1LMNAHPGDKMT2ASMN1; SMN2
SCHEMBL2585675 0.86 ALDH1A1 (0.46) ALDH1A1LMNAHPGDKMT2ASMN1; SMN2
SCHEMBL2585373 0.82 ALDH1A1 (0.54) ALDH1A1LMNAHPGDKMT2ASMN1; SMN2
SCHEMBL2582036 0.76 GAA (0.52) ALDH1A1LMNAHPGDKMT2ASMN1; SMN2
SCHEMBL2584691 0.75 ALDH1A1 (0.50) ALDH1A1LMNAHPGDKMT2ASMN1; SMN2
SCHEMBL2576115 0.75 LMNA (0.52) ALDH1A1LMNAHPGDKMT2ASMN1; SMN2
SCHEMBL4264547 0.74 KMT2A (0.48) ALDH1A1KMT2ANPC1RAB9AMEN1
SCHEMBL2582295 0.74 GAA (0.42) ALDH1A1LMNAKMT2ASMN1; SMN2MEN1
SCHEMBL2578732 0.73 LMNA (0.44) ALDH1A1LMNASMN1; SMN2TP53GAA
SCHEMBL15300243 0.73 P2RX7 (0.41) ALDH1A1LMNAHPGDKMT2ANAMPT

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.