SCHEMBL2904592

SCHEMBL2904592

C[C@](O)(c1ccc(Sc2sc(C#N)cc2Br)cc1)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 18/20 0.39
MLYCD O95822 1/20 0.34
AR P10275 1/20 0.33

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
SCHEMBL2904596 1.00 HSD11B1 (0.39) HSD11B1MLYCDAR
SCHEMBL2907204 0.76 HSD11B1 (0.56) HSD11B1
SCHEMBL2907205 0.76 HSD11B1 (0.56) HSD11B1
SCHEMBL2909131 0.71 MLYCD (0.36) HSD11B1MLYCD
SCHEMBL2901328 0.69 HSD11B1 (0.39) HSD11B1
SCHEMBL13265385 0.68 HSD11B1 (0.48) HSD11B1MLYCDAR
SCHEMBL13210299 0.68 HSD11B1 (0.63) HSD11B1
SCHEMBL2906832 0.67 MLYCD (0.37) HSD11B1MLYCD
SCHEMBL13210392 0.67 HSD11B1 (0.59) HSD11B1AR
SCHEMBL13210440 0.66 MAPT (0.43) HSD11B1MLYCD

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 5 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-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-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

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 HSD11B1 108/4885MLYCD 1185/4885AR 1801/4885
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 HSD11B1 3/4885MLYCD 482/4885AR 583/4885

“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.