SCHEMBL2578684

SCHEMBL2578684

Cc1ccc(S(=O)(=O)N2CCc3onc(C(=O)NC(C)C(=O)OC(C)(C)C)c3C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
XBP1 P17861 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 4/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TP53 P04637 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CD4 P01730 5/20 0.37
LMNA P02545 2/20 0.37
MDM2 Q00987 1/20 0.37
MAPK1 P28482 1/20 0.36
MEN1 O00255 1/20 0.36

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 0.80 ALDH1A1 (0.59) KDM4EHPGDTDP1ALDH1A1NPC1
SCHEMBL4268544 0.79 CD4 (0.45) ALDH1A1CD4KMT2A
SCHEMBL2579238 0.78 SMN1; SMN2 (0.42) SMN1; SMN2NPSR1HSD17B10
SCHEMBL2581162 0.77 RAB9A (0.58) KDM4EHPGDTDP1ALDH1A1NPC1
SCHEMBL2582491 0.77 ALDH1A1 (0.48) KDM4ETDP1ATMALDH1A1NPC1
SCHEMBL2582290 0.76 P2RY12 (0.41) KDM4ETDP1ATMALDH1A1NPC1
SCHEMBL2585252 0.75 PKM (0.46) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2576115 0.74 LMNA (0.52) HPGDTDP1ATMALDH1A1NPC1
SCHEMBL2584665 0.74 NPC1 (0.48) HPGDATMNPC1RAB9ATP53
SCHEMBL2586359 0.71 POLB (0.41) HPGDALDH1A1NPC1RAB9ASMN1; 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 6 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
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 disclosed
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 KDM4E 1123/4885HPGD 187/4885XBP1 4077/4885

“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.