SCHEMBL1471889

SCHEMBL1471889

O=C(NCC1CC1)c1ccccc1NS(=O)(=O)c1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2Cl)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.45
MAPT P10636 2/20 0.45
THRA P10827 3/20 0.45
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 3/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
SLC25A1 P53007 1/20 0.42
LMNA P02545 2/20 0.41
HSP90AA1 P07900 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RCE1 Q9Y256 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 1/20 0.40
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
SCHEMBL1471633 0.85 ALDH1A1 (0.53) CYP2C9MAPTTHRAALDH1A1SMN1; SMN2
SCHEMBL1472139 0.85 ALDH1A1 (0.53) CYP2C9MAPTTHRAALDH1A1SMN1; SMN2
SCHEMBL1473875 0.83 THRA (0.51) CYP2C9THRAALDH1A1L3MBTL1KDM4E
SCHEMBL1471301 0.80 CYP2C9 (0.56) CYP2C9MAPTTHRAALDH1A1SMN1; SMN2
SCHEMBL1471692 0.80 CRHBP (0.60) CYP2C9MAPTTHRAALDH1A1L3MBTL1
SCHEMBL12828930 0.80 KDM4E (0.42) CYP2C9ALDH1A1KDM4ERCE1HPGD
SCHEMBL1472302 0.78 CRHBP (0.54) CYP2C9MAPTTHRAALDH1A1SMN1; SMN2
SCHEMBL12751085 0.77 HPGD (0.61) CYP2C9MAPTTHRAALDH1A1SMN1; SMN2
SCHEMBL1472292 0.77 ALDH1A1 (0.57) CYP2C9MAPTTHRAALDH1A1SMN1; SMN2
SCHEMBL1474274 0.77 CRHBP (0.52) CYP2C9MAPTTHRAALDH1A1SMN1; SMN2

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 CYP2C9 3737/4885MAPT 1796/4885THRA 4803/4885

“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.