SCHEMBL1471728

SCHEMBL1471728

O=[N+]([O-])c1ccc(Oc2c(Cl)cc(S(=O)(=O)N3CCCC3)cc2Cl)c(Cl)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.73
ALDH1A1 P00352 6/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 2/20 0.55
THRA P10827 3/20 0.54
MAPT P10636 1/20 0.52
VCAM1 P19320 1/20 0.51
NPBWR1 P48145 1/20 0.50
MCHR1 Q99705 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
GPR55 Q9Y2T6 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MCOLN3 Q8TDD5 2/20 0.47
PDE7A Q13946 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL1474186 0.99 CYP2C9 (0.72) CYP2C9ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1471445 0.90 CYP2C9 (0.69) CYP2C9ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1472104 0.88 CYP2C9 (0.79) CYP2C9ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1473871 0.85 ALDH1A1 (0.72) CYP2C9ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1471430 0.85 CYP2C9 (1.00) CYP2C9ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1471260 0.84 ALDH1A1 (0.74) CYP2C9ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1472320 0.84 CYP2C9 (0.80) CYP2C9ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1471284 0.82 CYP2C9 (0.68) CYP2C9ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1019827 0.82 CYP2C9 (0.61) CYP2C9ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1471549 0.81 THRA (0.62) CYP2C9ALDH1A1MEN1KMT2ATHRA

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 6 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-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 3737/4885ALDH1A1 1362/4885MEN1 3441/4885

“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.