SCHEMBL5284276

SCHEMBL5284276

O=[N+]([O-])c1cc(Cl)c(Oc2ccc(S(=O)(=O)Nc3cccc4nonc34)cc2Cl)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
THRA P10827 3/20 0.41
NFKBIA P25963 2/20 0.41
RELA Q04206 2/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 1/20 0.40
ARNT P27540 3/20 0.39
EPAS1 Q99814 3/20 0.39
DDX3X O00571 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38
GFER P55789 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL6391336 0.84 CCR2 (0.44) CYP2C9CRHBPCRHR2NFKBIARELA
SCHEMBL5319583 0.83 CRHBP (0.41) CRHBPCRHR2NFKBIARELAALDH1A1
SCHEMBL5319580 0.82 CRHBP (0.38) CRHBPCRHR2NFKBIARELAALDH1A1
SCHEMBL5246316 0.81 MEN1 (0.49) CYP2C9CRHBPCRHR2THRANFKBIA
SCHEMBL1472031 0.78 NFKBIA (0.64) THRANFKBIARELAALDH1A1KMT2A
SCHEMBL1474274 0.77 CRHBP (0.52) CYP2C9CRHBPCRHR2THRAALDH1A1
SCHEMBL1471692 0.77 CRHBP (0.60) CYP2C9CRHBPCRHR2THRAALDH1A1
SCHEMBL1472089 0.76 CYP2C9 (0.52) CYP2C9CRHBPCRHR2THRANFKBIA
SCHEMBL1472451 0.75 THRA (0.54) CYP2C9CRHBPCRHR2THRANFKBIA
SCHEMBL1471254 0.75 CRHBP (0.49) CYP2C9CRHBPCRHR2THRAALDH1A1

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 CYP2C9 3936/4885CRHBP 4420/4885CRHR2 4814/4885

“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.