SCHEMBL5245239

SCHEMBL5245239

O=S(=O)(NC1CCCCC1)c1ccc(Cl)c2nonc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MCOLN3 Q8TDD5 3/20 0.51
LMNA P02545 2/20 0.49
NLRP3 Q96P20 1/20 0.47
RORA P35398 1/20 0.46
RORC P51449 1/20 0.46
NR1H2 P55055 1/20 0.46
TP53 P04637 1/20 0.45
PKM P14618 1/20 0.45
ALOX15 P16050 1/20 0.45
GAA P10253 2/20 0.45
HTT P42858 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 1/20 0.44
RECQL P46063 1/20 0.44
BRD4 O60885 1/20 0.44

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
SCHEMBL5244692 0.81 NLRP3 (0.45) ALDH1A1NLRP3RORARORCNR1H2
SCHEMBL15147260 0.79 POLB (0.59) NLRP3RORARORCNR1H2KMT2A
SCHEMBL4957112 0.77 RORA (0.43) ALDH1A1L3MBTL1MCOLN3LMNANLRP3
SCHEMBL5285081 0.76 RORA (0.46) ALDH1A1NLRP3RORARORCNR1H2
SCHEMBL10455310 0.75 ALDH1A1 (0.67) ALDH1A1L3MBTL1MCOLN3LMNATP53
SCHEMBL3498898 0.75 RORA (0.52) ALDH1A1LMNANLRP3RORARORC
SCHEMBL6862220 0.74 KMT5B (0.54) ALDH1A1L3MBTL1NLRP3HPGDKMT2A
SCHEMBL6862215 0.74 KMT5B (0.54) ALDH1A1L3MBTL1NLRP3HPGDKMT2A
SCHEMBL28820135 0.72 ALDH1A1 (0.97) ALDH1A1L3MBTL1MCOLN3LMNATP53
SCHEMBL985487 0.71 RORA (0.47) ALDH1A1L3MBTL1LMNANLRP3RORA

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-1758873-A1 UBIQUITIN LIGASE INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2007-03-07 EP claimed
WO-2006002284-A1 UBIQUITIN LIGASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2006-01-05 WO claimed
US-20050282818-A1 Ubiquitin ligase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2005-12-22 US claimed
WO-2008115259-A2 DERIVATIVES OF BENZOXADIAZOLE SUITABLE FOR THE TREATMENT OF CELL PROLIFERATIVE DISEASES RIGEL PHARMACEUTICALS, INC. (US) 2008-09-25 WO disclosed
WO-2006002284-A1 UBIQUITIN LIGASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2006-01-05 WO disclosed
US-20050282818-A1 Ubiquitin ligase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2005-12-22 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-20050282818-A1 Ubiquitin ligase inhibitors NEDD4, TRAF6, XIAP ALDH1A1 2627/4885L3MBTL1 2603/4885MCOLN3 3079/4885

“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.