SCHEMBL2909131

SCHEMBL2909131

CC(O)(c1ccc(Sc2sc(Br)nc2C(F)(F)F)cc1)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.36
HSD11B1 P28845 14/20 0.34
MAPT P10636 2/20 0.33
GCK P35557 1/20 0.32
GCKR Q14397 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HAO1 Q9UJM8 1/20 0.31

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
SCHEMBL13210440 0.87 MAPT (0.43) MLYCDHSD11B1MAPTGCKGCKR
SCHEMBL2906900 0.86 MYC (0.36) MLYCDHSD11B1MAPTGCKGCKR
SCHEMBL2906832 0.75 MLYCD (0.37) MLYCDHSD11B1GCKGCKR
SCHEMBL2906798 0.72 HSD11B1 (0.53) HSD11B1GCKGCKR
SCHEMBL2904596 0.71 HSD11B1 (0.39) MLYCDHSD11B1
SCHEMBL2904592 0.71 HSD11B1 (0.39) MLYCDHSD11B1
SCHEMBL2907520 0.69 MLYCD (0.37) MLYCDHSD11B1GCKGCKR
SCHEMBL2907239 0.69 USP2 (0.52) MLYCDHSD11B1MAPTGCKGCKR
SCHEMBL2908226 0.68 MLYCD (0.38) MLYCDHSD11B1GCKGCKRHAO1
SCHEMBL2907441 0.68 HSD11B1 (0.38) MLYCDHSD11B1GCKGCKR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1735275-B1 ARYL SULFONES AND USES RELATED THERETO AMGEN INC (US) 2010-08-18 EP disclosed
US-7754890-B2 Arylsulfones and uses related thereto AMGEN INC. (US) 2010-07-13 US disclosed
US-7754890-B2 Arylsulfones and uses related thereto AMGEN INC. (US) 2010-07-13 US disclosed
US-7754890-B2 Arylsulfones and uses related thereto AMGEN INC. (US) 2010-07-13 US disclosed
US-20080269283-A1 ARYLSULFONES AND USES RELATED THERETO AMGEN INC. 2008-10-30 US disclosed
US-20080269283-A1 ARYLSULFONES AND USES RELATED THERETO AMGEN INC. 2008-10-30 US disclosed
US-20080269283-A1 ARYLSULFONES AND USES RELATED THERETO AMGEN INC. 2008-10-30 US disclosed
US-7402704-B2 Arylsulfones and uses related thereto AMGEN INC. (US) 2008-07-22 US disclosed
US-7402704-B2 Arylsulfones and uses related thereto AMGEN INC. (US) 2008-07-22 US disclosed
US-7402704-B2 Arylsulfones and uses related thereto AMGEN INC. (US) 2008-07-22 US disclosed
EP-1735275-A2 ARYL SULFONES AND USES RELATED THERETO Amgen Inc. (US) 2006-12-27 EP disclosed
US-20050277665-A1 e.g. 1,1,1-trifluoro-2-[4-(toluene-2-sulfonyl)phenyl]-propan-2-ol; hydroxysteroid dehydrogenases inhibitor; interconversion between cortisone and cortisol in humans; antidiabetic agent; obesity, insulin resistance, non-insulin -dependent diabetes AMGEN INC. 2005-12-15 US disclosed
WO-2005110980-A2 ARYL SULFONES AND USES RELATED THERETO AMGEN, INC. (US) 2005-11-24 WO 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 (2 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-20080269283-A1 ARYLSULFONES AND USES RELATED THERETO ARSA, SULT2A1, UGT2B7 MLYCD 1185/4885HSD11B1 108/4885MAPT 4545/4885
US-20050277665-A1 e.g. 1,1,1-trifluoro-2-[4-(toluene-2-sulfonyl)phenyl]-propan-2-ol; hydroxysteroid dehydrogenases inhibitor; interconversion between cortisone and cortisol in humans; antidiabetic agent; obesity, insulin resistance, non-insulin -dependent diabetes HSD17B1, HSD3B1, HSD11B1 MLYCD 482/4885HSD11B1 3/4885MAPT 3890/4885

“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.