SCHEMBL2585530

SCHEMBL2585530

Cc1cc(C)c(S(=O)(=O)N2CCc3onc(C(=O)N4CCC(CCN5CCCC5)CC4)c3C2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 1/20 0.40
TP53 P04637 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.38
LMNA P02545 2/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
EPHX2 P34913 2/20 0.37
HTT P42858 1/20 0.37
EBP Q15125 1/20 0.36
DHCR7 Q9UBM7 1/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 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
Hydrochloric Acid SCHEMBL2588299 0.83 ALDH1A1 (0.40) MEN1KMT2AHPGDTP53MAPT
SCHEMBL2581935 0.82 L3MBTL1 (0.42) MEN1KMT2AHPGDTP53MAPT
SCHEMBL2586727 0.81 ALDH1A1 (0.43) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL2586164 0.81 MAPT (0.43) MEN1KMT2AHPGDTP53MAPT
SCHEMBL5529398 0.80 HDAC3 (0.42) MEN1KMT2ALMNACNR1
SCHEMBL5527973 0.80 MAPT (0.42) MEN1KMT2AHPGDTP53MAPT
Hydrochloric Acid SCHEMBL2576090 0.79 HDAC3 (0.42) MEN1KMT2ALMNACNR1
SCHEMBL2585117 0.75 MAPT (0.43) MEN1KMT2AHPGDTP53MAPT
SCHEMBL3087962 0.69 ALDH1A1 (0.39) HPGDTP53MAPTALDH1A1NPC1
SCHEMBL3092269 0.68 HSP90AA1 (0.49) MEN1KMT2AHPGDTP53MAPT

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
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
EP-1869053-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-ISOXAZOLO[4,5-C]PYRIDINE COMPOUNDS AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2007-12-26 EP disclosed
WO-2006105945-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-ISOXAZOLO[4,5-C]PYRIDINE COMPOUNDS AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2006-10-12 WO 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 MEN1 2795/4885KMT2A 4073/4885HPGD 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.