SCHEMBL1471430

SCHEMBL1471430

CC1CC(C)CN(S(=O)(=O)c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3Cl)c(Cl)c2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 1.00
ALDH1A1 P00352 4/20 0.59
THRA P10827 3/20 0.49
POLB P06746 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
RECQL P46063 2/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 2/20 0.43
PDE7A Q13946 1/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 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
SCHEMBL1472320 0.89 CYP2C9 (0.80) CYP2C9ALDH1A1THRAMEN1KMT2A
SCHEMBL1472104 0.88 CYP2C9 (0.79) CYP2C9ALDH1A1THRAPOLBMEN1
SCHEMBL1471728 0.85 CYP2C9 (0.73) CYP2C9ALDH1A1THRAMEN1KMT2A
SCHEMBL1474186 0.84 CYP2C9 (0.72) CYP2C9ALDH1A1THRAMEN1KMT2A
SCHEMBL1471445 0.82 CYP2C9 (0.69) CYP2C9ALDH1A1THRAMEN1KMT2A
SCHEMBL1471284 0.81 CYP2C9 (0.68) CYP2C9ALDH1A1THRAPOLBMEN1
SCHEMBL8297084 0.78 CYP2C9 (0.64) CYP2C9ALDH1A1THRAMEN1KMT2A
SCHEMBL1019827 0.77 CYP2C9 (0.61) CYP2C9ALDH1A1THRAMEN1KMT2A
SCHEMBL1471549 0.76 THRA (0.62) CYP2C9ALDH1A1THRAMEN1KMT2A
SCHEMBL1471338 0.76 CYP2C9 (0.61) CYP2C9ALDH1A1KMT2ASMN1; SMN2RECQL

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 1362/4885THRA 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.