SCHEMBL3577326

SCHEMBL3577326

Oc1cc(OCC(F)(F)F)ccc1S

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.47
CYP2C9 P11712 2/20 0.46
CYP17A1 P05093 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 6/20 0.44
MAPT P10636 6/20 0.44
CYP1A2 P05177 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
NPSR1 Q6W5P4 4/20 0.42
HTT P42858 4/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
LMNA P02545 3/20 0.42
PAX8 Q06710 2/20 0.42
GAA P10253 2/20 0.42
XBP1 P17861 2/20 0.42
S1PR2 O95136 1/20 0.42
S1PR4 O95977 1/20 0.42
S1PR3 Q99500 1/20 0.42

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
SCHEMBL22382283 0.80 ALDH1A1 (0.52) GPR3CYP2C9CYP17A1CYP2C19KDM4E
SCHEMBL14937755 0.79 ALDH1A1 (0.46) GPR3CYP2C9CYP17A1CYP2C19KDM4E
SCHEMBL3271257 0.78 APP (0.47) CYP2C9CYP17A1CYP2C19ALDH1A1MAPT
SCHEMBL30450739 0.78 CYP17A1 (0.58) GPR3CYP2C9CYP17A1CYP2C19KDM4E
SCHEMBL28350845 0.78 CYP17A1 (0.58) GPR3CYP2C9CYP17A1CYP2C19KDM4E
SCHEMBL8148994 0.76 KDM4E (0.48) GPR3CYP2C9CYP17A1CYP2C19KDM4E
SCHEMBL4450625 0.76 CYP2C9 (0.45) GPR3CYP2C9CYP17A1CYP2C19KDM4E
SCHEMBL4408334 0.76 KDM4E (0.51) CYP2C9KDM4EALDH1A1MAPTCYP1A2
SCHEMBL4719177 0.76 APP (0.50) GPR3CYP2C9CYP17A1CYP2C19KDM4E
SCHEMBL498377 0.75 ALDH1A1 (0.56) GPR3CYP2C9CYP17A1CYP2C19KDM4E

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008008273-A1 POLYMORPHIC FORM OF FLUORO-7-(2,2,2-TRIFLUOROETHOXY) PHENOXATHIIN-10,10-DIOXIDE CENERX BIOPHARMA, INC. (US) 2008-01-17 WO claimed
US-7812050-B2 Polymorphic form of fluoro-7-(2,2,2-trifluoroethoxy) phenoxathiin-10,10-dioxide CENERX BIOPHARMA, INC. (US) 2010-10-12 US disclosed
US-7812050-B2 Polymorphic form of fluoro-7-(2,2,2-trifluoroethoxy) phenoxathiin-10,10-dioxide CENERX BIOPHARMA, INC. (US) 2010-10-12 US disclosed
US-7812050-B2 Polymorphic form of fluoro-7-(2,2,2-trifluoroethoxy) phenoxathiin-10,10-dioxide CENERX BIOPHARMA, INC. (US) 2010-10-12 US disclosed
WO-2008008273-A1 POLYMORPHIC FORM OF FLUORO-7-(2,2,2-TRIFLUOROETHOXY) PHENOXATHIIN-10,10-DIOXIDE CENERX BIOPHARMA, INC. (US) 2008-01-17 WO disclosed
WO-2008008273-A1 POLYMORPHIC FORM OF FLUORO-7-(2,2,2-TRIFLUOROETHOXY) PHENOXATHIIN-10,10-DIOXIDE CENERX BIOPHARMA, INC. (US) 2008-01-17 WO disclosed
US-20080009542-A1 POLYMORPHIC FORM OF FLUORO-7-(2,2,2-TRIFLUOROETHOXY) PHENOXATHIIN-10,10-DIOXIDE CENERX BIOPHARMA, INC. (US) 2008-01-10 US disclosed
US-20080009542-A1 POLYMORPHIC FORM OF FLUORO-7-(2,2,2-TRIFLUOROETHOXY) PHENOXATHIIN-10,10-DIOXIDE CENERX BIOPHARMA, INC. (US) 2008-01-10 US disclosed
US-20080009542-A1 POLYMORPHIC FORM OF FLUORO-7-(2,2,2-TRIFLUOROETHOXY) PHENOXATHIIN-10,10-DIOXIDE CENERX BIOPHARMA, INC. (US) 2008-01-10 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-20080009542-A1 POLYMORPHIC FORM OF FLUORO-7-(2,2,2-TRIFLUOROETHOXY) PHENOXATHIIN-10,10-DIOXIDE UGT1A10, CYP2F1, F10 GPR3 2350/4885CYP2C9 11/4885CYP17A1 1024/4885

“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.