SCHEMBL1472009

SCHEMBL1472009

O=[N+]([O-])c1ccc(Oc2c(Cl)cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2Cl)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.50
CDK1 P06493 2/20 0.48
CCNB1 P14635 2/20 0.48
CCNA2 P20248 2/20 0.48
CDK2 P24941 2/20 0.48
CDK7 P50613 2/20 0.48
CCNH P51946 2/20 0.48
CCNA1 P78396 2/20 0.48
FFAR4 Q5NUL3 2/20 0.48
FFAR1 O14842 1/20 0.48
CCND1 P24385 1/20 0.47
CDK6 Q00534 1/20 0.47
CYP2C9 P11712 1/20 0.47
KIF11 P52732 1/20 0.47
THRA P10827 3/20 0.46
MAPT P10636 4/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
PLA2G7 Q13093 1/20 0.46

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
SCHEMBL1471928 0.87 CYP2C9 (0.49) CYP2C9THRAMAPTKMT2AMEN1
SCHEMBL1471717 0.87 MEN1 (0.53) CYP2C9THRAMAPTKMT2AMEN1
SCHEMBL1471919 0.87 MEN1 (0.52) CYP2C9THRAMAPTKMT2AMEN1
SCHEMBL1473962 0.85 CRHBP (0.54) TRPV1CYP2C9THRAMAPTKMT2A
SCHEMBL1471731 0.85 CYP2C9 (0.48) CYP2C9THRAPLA2G7ALDH1A1LMNA
SCHEMBL1472067 0.85 CYP2C9 (0.52) CYP2C9THRAMAPTKMT2AMEN1
SCHEMBL1472107 0.85 CYP2C9 (0.49) CYP2C9THRAMAPTKMT2AMEN1
SCHEMBL1471441 0.84 CRHBP (0.49) CYP2C9THRAMAPTKMT2AMEN1
SCHEMBL1471490 0.84 CYP2C9 (0.51) CYP2C9THRAMAPTKMT2AMEN1
SCHEMBL1471875 0.83 MEN1 (0.57) CYP2C9THRAMAPTKMT2AMEN1

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 TRPV1 4815/4885CDK1 693/4885CCNB1 2336/4885

“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.