SCHEMBL1472460

SCHEMBL1472460

O=S(=O)(Nc1ccc(Oc2cc(C(F)(F)F)ccn2)cc1)c1ccccc1C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AXL P30530 5/20 0.60
SLC22A12 Q96S37 14/20 0.54
CYP2C9 P11712 2/20 0.54
SLC22A6 Q4U2R8 2/20 0.54
SLC22A8 Q8TCC7 2/20 0.54
SLC22A11 Q9NSA0 2/20 0.54
CYP3A4 P08684 1/20 0.54
NR3C1 P04150 1/20 0.50
PGR P06401 1/20 0.50
AR P10275 1/20 0.50
ESR2 Q92731 1/20 0.50

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
SCHEMBL1472100 0.82 PGR (0.71) AXLNR3C1PGRARESR2
SCHEMBL5290647 0.81 KMT2A (0.53) AXLNR3C1PGRARESR2
SCHEMBL1474002 0.79 PGR (0.60) NR3C1PGRARESR2
SCHEMBL1471955 0.78 LMNA (0.73) AXLSLC22A12CYP2C9SLC22A6SLC22A8
SCHEMBL1592159 0.75 AXL (1.00) AXL
SCHEMBL31411241 0.74 NPC1 (0.56) CYP2C9
SCHEMBL19154982 0.74 NPC1 (0.56) CYP2C9
SCHEMBL3769130 0.72 SLC22A12 (0.70) SLC22A12CYP2C9SLC22A6SLC22A8SLC22A11
SCHEMBL95728 0.70 SLC22A12 (0.68) SLC22A12CYP2C9SLC22A6SLC22A8SLC22A11
SCHEMBL29118842 0.70 SLC22A12 (0.68) SLC22A12CYP2C9SLC22A6SLC22A8SLC22A11

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
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
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 AXL 3086/4885SLC22A12 4627/4885CYP2C9 3737/4885

“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.