SCHEMBL5285438

SCHEMBL5285438

O=S(=O)(Nc1ccc2[nH]ccc2c1)c1ccc(Cl)c2nonc12

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORA P35398 1/20 0.53
RORC P51449 1/20 0.53
NR1H2 P55055 1/20 0.53
PFKFB3 Q16875 1/20 0.53
HTR6 P50406 2/20 0.46
ESR1 P03372 4/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CYP19A1 P11511 2/20 0.43
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
IDH1 O75874 1/20 0.41
MAOB P27338 2/20 0.40
NLRP3 Q96P20 1/20 0.40
MAOA P21397 1/20 0.40
SLC22A12 Q96S37 1/20 0.39

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
SCHEMBL5295742 0.83 MEN1 (0.65) RORARORCNR1H2PFKFB3MEN1
SCHEMBL5290603 0.82 RORA (0.51) RORARORCNR1H2PFKFB3MEN1
SCHEMBL5285716 0.79 KMT2A (0.61) RORARORCNR1H2PFKFB3MEN1
SCHEMBL4878418 0.78 ESR1 (0.55) HTR6ESR1MEN1KMT2ACYP19A1
SCHEMBL5299664 0.77 RORA (0.61) RORARORCNR1H2PFKFB3MEN1
SCHEMBL5279927 0.74 PFKFB3 (0.62) RORARORCNR1H2PFKFB3ESR1
SCHEMBL615849 0.73 IDH1 (0.52) HTR6ESR1MEN1KMT2ACYP19A1
SCHEMBL3297977 0.73 ESR1 (0.58) HTR6ESR1MEN1KMT2ACYP19A1
SCHEMBL13757814 0.73 PNMT (0.52) RORARORCNR1H2PFKFB3HTR6
SCHEMBL13757756 0.73 PFKFB3 (0.50) RORARORCNR1H2PFKFB3HTR6

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.