SCHEMBL5244692

SCHEMBL5244692

O=S(=O)(NCC1CCCCC1)c1ccc(Cl)c2nonc12

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.45
RORA P35398 1/20 0.43
RORC P51449 1/20 0.43
NR1H2 P55055 1/20 0.43
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 5/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
HDAC4 P56524 1/20 0.41
CNR1 P21554 4/20 0.41
CNR2 P34972 4/20 0.41
BCL2L1 Q07817 1/20 0.41
MCL1 Q07820 1/20 0.41
PFKFB3 Q16875 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 1/20 0.38
GBA1 P04062 1/20 0.38

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
SCHEMBL5285081 0.94 RORA (0.46) NLRP3RORARORCNR1H2ALDH1A1
SCHEMBL5245239 0.81 ALDH1A1 (0.54) NLRP3RORARORCNR1H2KMT2A
SCHEMBL5245491 0.80 ALDH1A1 (0.63) KMT2AALDH1A1MEN1HTTSMN1; SMN2
SCHEMBL13794340 0.73 NPY5R (0.64) ALDH1A1
SCHEMBL3498898 0.72 RORA (0.52) NLRP3RORARORCNR1H2KMT2A
SCHEMBL5244471 0.72 ALDH1A1 (0.50) NLRP3RORARORCNR1H2ALDH1A1
SCHEMBL15926056 0.72 GAA (0.49) NLRP3RORARORCNR1H2KMT2A
Hydrochloric Acid SCHEMBL22734515 0.71 RORA (0.44) NLRP3RORARORCNR1H2KMT2A
SCHEMBL4946887 0.70 RORA (0.46) NLRP3RORARORCNR1H2KMT2A
SCHEMBL5279661 0.69 ALDH1A1 (0.52) RORARORCNR1H2KMT2AALDH1A1

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 NLRP3 1733/4885RORA 2756/4885RORC 2031/4885

“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.