SCHEMBL2589491

SCHEMBL2589491

Cc1cc(C)c(S(=O)(=O)N2CCc3onc(C(=O)N4CCN(CCCN(C)C)CC4)c3C2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
BDKRB1 P46663 2/20 0.41
MAPT P10636 4/20 0.40
SLC2A1 P11166 1/20 0.40
TP53 P04637 2/20 0.40
LMNA P02545 1/20 0.39
KMT2A Q03164 6/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 4/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
GAA P10253 1/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 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 0.99 ALDH1A1 (0.40) ALDH1A1BDKRB1MAPTSLC2A1TP53
SCHEMBL2585530 0.83 MEN1 (0.40) ALDH1A1MAPTTP53LMNAKMT2A
Hydrochloric Acid SCHEMBL2581062 0.82 SLC2A1 (0.40) MAPTSLC2A1TP53LMNA
SCHEMBL2585117 0.77 MAPT (0.43) ALDH1A1MAPTTP53LMNAKMT2A
SCHEMBL5527973 0.70 MAPT (0.42) ALDH1A1MAPTTP53LMNAKMT2A
SCHEMBL3087962 0.69 ALDH1A1 (0.39) ALDH1A1MAPTTP53LMNAKDM4E
SCHEMBL3092269 0.68 HSP90AA1 (0.49) ALDH1A1MAPTTP53LMNAKMT2A
SCHEMBL3102323 0.68 CYP3A4 (0.50) ALDH1A1MAPTTP53LMNAKMT2A
SCHEMBL2581935 0.66 L3MBTL1 (0.42) ALDH1A1BDKRB1MAPTTP53LMNA
SCHEMBL3096381 0.65 EPHX2 (0.39) ALDH1A1MAPTTP53KMT2AKDM4E

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 2 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 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 1107/4885BDKRB1 1663/4885MAPT 3693/4885

“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.