SCHEMBL1473874

SCHEMBL1473874

N=C(NS(=O)(=O)c1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2Cl)c(Cl)c1)c1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.59
FLT1 P17948 5/20 0.50
FLT4 P35916 5/20 0.50
KDR P35968 5/20 0.50
CYP2C9 P11712 1/20 0.49
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
PKM P14618 2/20 0.43
GAA P10253 1/20 0.43
TBXA2R P21731 3/20 0.43
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
PDE7A Q13946 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 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
SCHEMBL1471537 0.92 THRA (0.56) THRAFLT1FLT4KDRCYP2C9
SCHEMBL1471214 0.90 THRA (0.55) THRAFLT1FLT4KDRCYP2C9
SCHEMBL1472131 0.89 THRA (0.55) THRAFLT1FLT4KDRCYP2C9
SCHEMBL1471812 0.88 FLT1 (0.53) THRAFLT1FLT4KDRMEN1
SCHEMBL1471557 0.87 THRA (0.55) THRAFLT1FLT4KDRCYP2C9
SCHEMBL1472253 0.85 THRA (0.52) THRAFLT1FLT4KDRCYP2C9
SCHEMBL1471655 0.83 THRA (0.66) THRAFLT1FLT4KDRCYP2C9
SCHEMBL1471229 0.82 CYP2C9 (0.53) THRAFLT1FLT4KDRCYP2C9
SCHEMBL1472118 0.82 THRA (0.69) THRAFLT1FLT4KDRCYP2C9
SCHEMBL13485840 0.81 THRA (0.59) THRAFLT1FLT4KDRCYP2C9

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 8 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
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 THRA 4803/4885FLT1 4150/4885FLT4 4270/4885

“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.