SCHEMBL2909413

SCHEMBL2909413

CC(O)(c1ccc(S(=O)(=O)c2nc(N3CCCC3)sc2Cl)cc1)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56
ALOX15 P16050 1/20 0.56
HSD17B10 Q99714 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.53
GLRA3 O75311 1/20 0.49
GLRB P48167 1/20 0.49
HTR1A P08908 1/20 0.49
HTR2A P28223 1/20 0.49
HTR7 P34969 1/20 0.49
HTR6 P50406 1/20 0.49
HSD11B1 P28845 16/20 0.49

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
SCHEMBL2907098 0.86 HSD11B1 (0.53) KDM4EALDH1A1HPGDALOX15HSD17B10
SCHEMBL2901915 0.85 GLRA3 (0.48) KDM4EALDH1A1HPGDALOX15HSD17B10
SCHEMBL2906675 0.81 GLRA3 (0.48) GLRA3GLRBHSD11B1
SCHEMBL2907408 0.73 HSD11B1 (0.68) HSD11B1
SCHEMBL2904500 0.72 HSD11B1 (0.55) HSD11B1
SCHEMBL3556996 0.69 LMNA (0.68) ALDH1A1HSD11B1
SCHEMBL3555800 0.69 LMNA (0.68) ALDH1A1HSD11B1
SCHEMBL3551978 0.69 LMNA (0.68) ALDH1A1HSD11B1
SCHEMBL2901318 0.68 HSD11B1 (0.47) HSD11B1
SCHEMBL13239427 0.67 HSD11B1 (0.80) HSD11B1

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
EP-1735275-B1 ARYL SULFONES AND USES RELATED THERETO AMGEN INC (US) 2010-08-18 EP claimed
US-7754890-B2 Arylsulfones and uses related thereto AMGEN INC. (US) 2010-07-13 US claimed
US-20080269283-A1 ARYLSULFONES AND USES RELATED THERETO AMGEN INC. 2008-10-30 US claimed
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 claimed
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-7402704-B2 Arylsulfones and uses related thereto AMGEN INC. (US) 2008-07-22 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 KDM4E 2782/4885ALDH1A1 128/4885HPGD 1892/4885
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 KDM4E 2921/4885ALDH1A1 103/4885HPGD 157/4885

“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.