SCHEMBL1472031

SCHEMBL1472031

O=[N+]([O-])c1ccc(Oc2c(Cl)cc(S(=O)(=O)Nc3cccc4cccnc34)cc2Cl)c(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKBIA P25963 4/20 0.64
RELA Q04206 3/20 0.64
KMT2A Q03164 8/20 0.62
MEN1 O00255 7/20 0.62
SLC40A1 Q9NP59 9/20 0.53
TDP1 Q9NUW8 8/20 0.52
THRA P10827 1/20 0.51
GLO1 Q04760 5/20 0.50
OPRK1 P41145 2/20 0.49
MDM4 O15151 1/20 0.49
MDM2 Q00987 1/20 0.49
AGTR1 P30556 2/20 0.48
MITF O75030 1/20 0.48
S1PR4 O95977 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
S1PR1 P21453 1/20 0.48
HTT P42858 1/20 0.48
CKS1B P61024 1/20 0.48

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
SCHEMBL1472451 0.89 THRA (0.54) NFKBIARELAKMT2AMEN1TDP1
SCHEMBL1472338 0.84 THRA (0.57) KMT2AMEN1THRAALDH1A1LMNA
SCHEMBL1474274 0.83 CRHBP (0.52) KMT2AMEN1THRAALDH1A1LMNA
SCHEMBL1471692 0.83 CRHBP (0.60) KMT2AMEN1THRAALDH1A1LMNA
SCHEMBL5246316 0.83 MEN1 (0.49) NFKBIARELAKMT2AMEN1TDP1
SCHEMBL1472089 0.82 CYP2C9 (0.52) NFKBIARELAKMT2AMEN1THRA
SCHEMBL1472337 0.82 THRA (0.59) KMT2AMEN1THRAALDH1A1LMNA
SCHEMBL1472075 0.81 CRHBP (0.46) NFKBIARELAKMT2AMEN1THRA
SCHEMBL13485936 0.81 SLC40A1 (0.57) NFKBIARELAKMT2AMEN1SLC40A1
SCHEMBL1471254 0.81 CRHBP (0.49) KMT2AMEN1THRAALDH1A1LMNA

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 NFKBIA 204/4885RELA 368/4885KMT2A 1014/4885

“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.