SCHEMBL1474261

SCHEMBL1474261

O=[N+]([O-])c1ccc(Oc2c(Cl)cc(S(=O)(=O)Nc3cc(Br)cc(Br)n3)cc2Cl)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.48
THRA P10827 3/20 0.47
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
PDE7A Q13946 1/20 0.40
KDM4E B2RXH2 1/20 0.37
TBXA2R P21731 1/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RAB9A P51151 1/20 0.36

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
SCHEMBL1472097 0.86 THRA (0.49) CYP2C9THRACRHBPCRHR2MEN1
SCHEMBL1472337 0.80 THRA (0.59) CYP2C9THRACRHBPCRHR2MEN1
SCHEMBL1472107 0.80 CYP2C9 (0.49) CYP2C9THRACRHBPCRHR2MEN1
SCHEMBL1472191 0.79 CYP2C9 (0.51) CYP2C9THRAALDH1A1POLBRAB9A
SCHEMBL1472150 0.79 ALDH1A1 (0.56) CYP2C9THRACRHBPCRHR2MEN1
SCHEMBL1472338 0.79 THRA (0.57) CYP2C9THRACRHBPCRHR2MEN1
SCHEMBL1472242 0.78 THRA (0.58) CYP2C9THRACRHBPCRHR2MEN1
SCHEMBL1471229 0.78 CYP2C9 (0.53) CYP2C9THRACRHBPCRHR2MEN1
SCHEMBL1472164 0.78 CYP2C9 (0.60) CYP2C9THRACRHBPCRHR2MEN1
SCHEMBL13485840 0.78 THRA (0.59) CYP2C9THRACRHBPCRHR2MEN1

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
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
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
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 CYP2C9 3737/4885THRA 4803/4885CRHBP 3873/4885

“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.