SCHEMBL1471338

SCHEMBL1471338

CC1CN(S(=O)(=O)c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3)c(Cl)c2)CC(C)O1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.61
ALDH1A1 P00352 4/20 0.57
SMN1; SMN2 Q16637 4/20 0.55
HTT P42858 1/20 0.55
RECQL P46063 1/20 0.55
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.48
FAAH O00519 4/20 0.46
MGLL Q99685 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 2/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL1472320 0.88 CYP2C9 (0.80) CYP2C9ALDH1A1SMN1; SMN2HTTRECQL
SCHEMBL1473871 0.83 ALDH1A1 (0.72) CYP2C9ALDH1A1SMN1; SMN2HTTRECQL
SCHEMBL1472152 0.82 SMN1; SMN2 (0.58) CYP2C9ALDH1A1SMN1; SMN2HTTRECQL
SCHEMBL1471260 0.82 ALDH1A1 (0.74) CYP2C9ALDH1A1SMN1; SMN2HTTRECQL
SCHEMBL8298782 0.76 SMN1; SMN2 (0.47) CYP2C9ALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL1471430 0.76 CYP2C9 (1.00) CYP2C9ALDH1A1SMN1; SMN2HTTRECQL
SCHEMBL8411987 0.75 SMN1; SMN2 (0.48) CYP2C9ALDH1A1SMN1; SMN2HTTRECQL
SCHEMBL1472388 0.74 CA2 (0.56) ALDH1A1SMN1; SMN2HTTLMNAMAPT
SCHEMBL1472104 0.72 CYP2C9 (0.79) CYP2C9ALDH1A1SMN1; SMN2HTTRECQL
SCHEMBL3986085 0.71 HTT (0.53) ALDH1A1SMN1; SMN2HTTLMNATSHR

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 CYP2C9 3737/4885ALDH1A1 1362/4885SMN1; SMN2 3336/4885

“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.