SCHEMBL1472075

SCHEMBL1472075

O=[N+]([O-])c1ccc(Oc2c(Cl)cc(S(=O)(=O)Nc3cccc4cc[nH]c34)cc2Cl)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
CYP2C9 P11712 1/20 0.46
THRA P10827 3/20 0.45
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NFKBIA P25963 3/20 0.41
RELA Q04206 3/20 0.41
NR3C1 P04150 1/20 0.41
PGR P06401 1/20 0.41
NR3C2 P08235 1/20 0.41
AR P10275 1/20 0.41
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
TBXA2R P21731 1/20 0.39
DDX3X O00571 1/20 0.39
GAA P10253 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
SCHEMBL1474274 0.83 CRHBP (0.52) CRHBPCRHR2CYP2C9THRAMEN1
SCHEMBL1471692 0.83 CRHBP (0.60) CRHBPCRHR2CYP2C9THRAMEN1
SCHEMBL1472302 0.82 CRHBP (0.54) CRHBPCRHR2CYP2C9THRAMEN1
SCHEMBL1472089 0.82 CYP2C9 (0.52) CRHBPCRHR2CYP2C9THRAMEN1
SCHEMBL1472031 0.81 NFKBIA (0.64) THRAMEN1KMT2ANFKBIARELA
SCHEMBL1471254 0.81 CRHBP (0.49) CRHBPCRHR2CYP2C9THRAMEN1
SCHEMBL1471467 0.80 ESR1 (0.54) CRHBPCRHR2CYP2C9THRAMEN1
SCHEMBL1472293 0.80 CYP2C9 (0.46) CRHBPCRHR2CYP2C9THRAMEN1
SCHEMBL12751085 0.80 HPGD (0.61) CRHBPCRHR2CYP2C9THRAMEN1
SCHEMBL2367583 0.80 NFKBIA (0.58) CRHBPCRHR2MEN1KMT2ANFKBIA

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 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.