SCHEMBL1472397

SCHEMBL1472397

O=[N+]([O-])c1ccc(Oc2c(Cl)cc(S(=O)(=O)Nc3ccccc3OC(F)(F)F)cc2Cl)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
CYP2C9 P11712 1/20 0.47
THRA P10827 3/20 0.46
S100A9 P06702 1/20 0.46
ALDH1A1 P00352 3/20 0.45
HPGD P15428 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP19A1 P11511 2/20 0.42
TBXA2R P21731 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
DDX3X O00571 1/20 0.40
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
PDE7A Q13946 1/20 0.39
ACLY P53396 1/20 0.39
HSP90AA1 P07900 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
SCHEMBL1471622 0.87 CRHBP (0.51) CRHBPCRHR2CYP2C9THRAALDH1A1
SCHEMBL12751085 0.87 HPGD (0.61) CRHBPCRHR2CYP2C9THRAALDH1A1
SCHEMBL1471692 0.87 CRHBP (0.60) CRHBPCRHR2CYP2C9THRAALDH1A1
SCHEMBL1471919 0.85 MEN1 (0.52) CRHBPCRHR2CYP2C9THRAALDH1A1
SCHEMBL1472302 0.84 CRHBP (0.54) CRHBPCRHR2CYP2C9THRAALDH1A1
SCHEMBL1474408 0.83 CYP2C9 (0.44) CRHBPCRHR2CYP2C9THRAS100A9
SCHEMBL1474274 0.83 CRHBP (0.52) CRHBPCRHR2CYP2C9THRAALDH1A1
SCHEMBL1471924 0.82 CRHBP (0.52) CRHBPCRHR2CYP2C9THRAALDH1A1
SCHEMBL1471254 0.82 CRHBP (0.49) CRHBPCRHR2CYP2C9THRAALDH1A1
SCHEMBL1471216 0.82 CYP2C9 (0.47) CRHBPCRHR2CYP2C9THRAALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915293-B2 Carbocyclic and heterocyclic sulfonamide derivatives, e.g., N-(2-bromo-5-(trifluoromethoxy)phenyl)-3,5-dichloro-4-(2-chloro-4-nitrophenoxy)benzenesulfonamide and 4-(2-(trifluoromethyl)phenoxy)-1-(3-trifluoromethyl)phenylsulfonyl)piperidine; treating proliferative diseases RIGEL PHARMACEUTICALS, INC. (US) 2011-03-29 US claimed
EP-1651595-A2 UBIQUITIN LIGASE INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2006-05-03 EP claimed
WO-2005007621-A2 UBIQUITIN LIGASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2005-01-27 WO claimed
US-20050009871-A1 Ubiquitin ligase inhibitors RIGEL PHARMACEUTICALS, INC. 2005-01-13 US claimed
US-7915293-B2 Carbocyclic and heterocyclic sulfonamide derivatives, e.g., N-(2-bromo-5-(trifluoromethoxy)phenyl)-3,5-dichloro-4-(2-chloro-4-nitrophenoxy)benzenesulfonamide and 4-(2-(trifluoromethyl)phenoxy)-1-(3-trifluoromethyl)phenylsulfonyl)piperidine; treating proliferative diseases RIGEL PHARMACEUTICALS, INC. (US) 2011-03-29 US disclosed
WO-2005007621-A2 UBIQUITIN LIGASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2005-01-27 WO disclosed
US-20050009871-A1 Ubiquitin ligase inhibitors RIGEL PHARMACEUTICALS, INC. 2005-01-13 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-20050009871-A1 Ubiquitin ligase inhibitors NEDD4, STUB1, UBE3A CRHBP 3873/4885CRHR2 4633/4885CYP2C9 3737/4885

“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.