SCHEMBL5285081

SCHEMBL5285081

O=S(=O)(NCC1CC1)c1ccc(Cl)c2nonc12

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORA P35398 1/20 0.46
RORC P51449 1/20 0.46
NR1H2 P55055 1/20 0.46
NLRP3 Q96P20 1/20 0.45
GBA1 P04062 1/20 0.43
CNR2 P34972 9/20 0.42
CNR1 P21554 3/20 0.42
PFKFB3 Q16875 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
NPY5R Q15761 1/20 0.39
AQP1 P29972 1/20 0.39
MAPT P10636 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HPGD P15428 1/20 0.38
TSHR P16473 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
SCHEMBL5244692 0.94 NLRP3 (0.45) RORARORCNR1H2NLRP3GBA1
SCHEMBL13794340 0.79 NPY5R (0.64) ALDH1A1NPY5RAQP1MAPTHPGD
SCHEMBL5293449 0.77 ALDH1A1 (0.51) RORARORCNR1H2ALDH1A1MAPK1
SCHEMBL5245239 0.76 ALDH1A1 (0.54) RORARORCNR1H2NLRP3ALDH1A1
SCHEMBL3498898 0.75 RORA (0.52) RORARORCNR1H2NLRP3PFKFB3
SCHEMBL15926056 0.75 GAA (0.49) RORARORCNR1H2NLRP3PFKFB3
SCHEMBL5244471 0.75 ALDH1A1 (0.50) RORARORCNR1H2NLRP3ALDH1A1
Hydrochloric Acid SCHEMBL22734515 0.74 RORA (0.44) RORARORCNR1H2NLRP3PFKFB3
SCHEMBL4946887 0.73 RORA (0.46) RORARORCNR1H2NLRP3PFKFB3
SCHEMBL5245491 0.73 ALDH1A1 (0.63) ALDH1A1MAPK1

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 RORA 2756/4885RORC 2031/4885NR1H2 2148/4885

“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.