SCHEMBL1471537

SCHEMBL1471537

N=C(NS(=O)(=O)c1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2Cl)c(Cl)c1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.56
CYP2C9 P11712 1/20 0.49
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
TBXA2R P21731 2/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
ALDH1A1 P00352 5/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
FLT1 P17948 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
HSP90AA1 P07900 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PDE7A Q13946 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41

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
SCHEMBL1472131 0.93 THRA (0.55) THRACYP2C9CRHBPCRHR2TBXA2R
SCHEMBL1473874 0.92 THRA (0.59) THRACYP2C9TBXA2RMEN1KMT2A
SCHEMBL1471214 0.90 THRA (0.55) THRACYP2C9TBXA2RMEN1KMT2A
SCHEMBL1472253 0.89 THRA (0.52) THRACYP2C9TBXA2RMEN1KMT2A
SCHEMBL5798189 0.88 MEN1 (0.47) THRACRHBPCRHR2MEN1KMT2A
SCHEMBL1472118 0.85 THRA (0.69) THRACYP2C9CRHBPCRHR2TBXA2R
SCHEMBL1471655 0.83 THRA (0.66) THRACYP2C9TBXA2RMEN1KMT2A
SCHEMBL13485840 0.81 THRA (0.59) THRACYP2C9CRHBPCRHR2TBXA2R
SCHEMBL1471557 0.81 THRA (0.55) THRACYP2C9TBXA2RMEN1KMT2A
SCHEMBL1471812 0.79 FLT1 (0.53) THRATBXA2RMEN1KMT2AGAA

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 5 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 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 THRA 4803/4885CYP2C9 3737/4885CRHBP 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.