SCHEMBL2908226

SCHEMBL2908226

CC(O)(c1ccc(Sc2csc(N)n2)cc1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.38
GCK P35557 3/20 0.36
GCKR Q14397 3/20 0.36
MPL P40238 2/20 0.36
HSD11B1 P28845 12/20 0.35
LTA4H P09960 1/20 0.35
HAO1 Q9UJM8 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
SCHEMBL2907441 0.75 HSD11B1 (0.38) MLYCDGCKGCKRHSD11B1
SCHEMBL2906900 0.75 MYC (0.36) MLYCDGCKGCKRHSD11B1
SCHEMBL2907382 0.74 GCK (0.41) MLYCDGCKGCKRHSD11B1
SCHEMBL2907239 0.71 USP2 (0.52) MLYCDGCKGCKRHSD11B1
SCHEMBL10165226 0.69 HSD11B1 (0.59) HSD11B1
SCHEMBL2906832 0.69 MLYCD (0.37) MLYCDGCKGCKRHSD11B1
SCHEMBL2907520 0.69 MLYCD (0.37) MLYCDGCKGCKRHSD11B1
SCHEMBL13210440 0.68 MAPT (0.43) MLYCDGCKGCKRHSD11B1
SCHEMBL2909131 0.68 MLYCD (0.36) MLYCDGCKGCKRHSD11B1HAO1
SCHEMBL19181908 0.68 HSD11B1 (0.54) GCKGCKRHSD11B1

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 7 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
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 1185/4885GCK 544/4885GCKR 512/4885
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 482/4885GCK 277/4885GCKR 213/4885

“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.