SCHEMBL1471523

SCHEMBL1471523

O=[N+]([O-])c1ccc(Oc2c(Cl)cc(S(=O)(=O)NC(=S)Nc3ccc(Cl)c(Cl)c3)cc2Cl)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.51
MEN1 O00255 8/20 0.48
KMT2A Q03164 8/20 0.48
GAA P10253 2/20 0.48
PKM P14618 1/20 0.48
CYP2C9 P11712 1/20 0.47
MAPT P10636 8/20 0.46
LMNA P02545 4/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MAPK1 P28482 1/20 0.41
XBP1 P17861 1/20 0.41
RAB9A P51151 1/20 0.41
CCR6 P51684 1/20 0.41
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL1471586 0.87 THRA (0.52) THRAMEN1KMT2AGAAPKM
SCHEMBL1472083 0.85 THRA (0.54) THRAMEN1KMT2AGAAPKM
SCHEMBL1471879 0.84 SMN1; SMN2 (0.51) THRAMEN1KMT2AGAAPKM
SCHEMBL1471557 0.80 THRA (0.55) THRAMEN1KMT2AGAAPKM
SCHEMBL13485840 0.79 THRA (0.59) THRAMEN1KMT2AGAAPKM
SCHEMBL8410862 0.78 KMT2A (0.53) THRAMEN1KMT2AGAAPKM
SCHEMBL1471229 0.77 CYP2C9 (0.53) THRAMEN1KMT2AGAAPKM
SCHEMBL1471655 0.77 THRA (0.66) THRAMEN1KMT2AGAAPKM
SCHEMBL1474475 0.77 ALDH1A1 (0.55) THRAMEN1KMT2AGAAPKM
SCHEMBL1472164 0.77 CYP2C9 (0.60) THRAMEN1KMT2AGAAPKM

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 9 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
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-20050267142-A1 Arylindenopyridines and arylindenopyrimidines and related therapeutic and prophylactic methods HEINTZELMAN GEOFFREY R 2005-12-01 US 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 (2 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 THRA 4803/4885MEN1 3441/4885KMT2A 1014/4885
US-20050267142-A1 Arylindenopyridines and arylindenopyrimidines and related therapeutic and prophylactic methods ADORA2A, ADORA1, ADORA3 THRA 642/4885MEN1 3809/4885KMT2A 2094/4885

“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.