SCHEMBL2906609

SCHEMBL2906609

CCOC(=O)C(C)(C)Cc1ccc(S)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.47
ALDH1A1 P00352 1/20 0.43
RECQL P46063 1/20 0.43
CYP4F2 P78329 2/20 0.40
CYP4A11 Q02928 2/20 0.40
OPRK1 P41145 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
PPARA Q07869 2/20 0.40
ABCB11 O95342 1/20 0.40
TSHR P16473 1/20 0.40
HTR2A P28223 1/20 0.40
PMP22 Q01453 1/20 0.40
PIN1 Q13526 1/20 0.38
PTPRB P23467 3/20 0.38
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CNR2 P34972 2/20 0.36
PPIB P23284 1/20 0.36
PPIA P62937 1/20 0.36

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
SCHEMBL13170332 0.86 MMP8 (0.49) MMP8ALDH1A1RECQLCYP4F2CYP4A11
SCHEMBL8486868 0.85 ESR1 (0.50) MMP8ALDH1A1RECQLCYP4F2CYP4A11
SCHEMBL22070681 0.85 MMP8 (0.48) MMP8ALDH1A1RECQLCYP4F2CYP4A11
SCHEMBL2557165 0.83 CYP3A4 (0.58) MMP8ALDH1A1RECQLOPRK1CYP1A2
SCHEMBL5381952 0.83 MMP8 (0.47) MMP8ALDH1A1RECQLCYP1A2LMNA
SCHEMBL186196 0.83 MMP8 (0.47) MMP8ALDH1A1RECQLCYP4F2CYP4A11
SCHEMBL1492859 0.83 MMP8 (0.65) MMP8ALDH1A1RECQLTSHRPIN1
SCHEMBL6746893 0.82 MMP8 (0.49) MMP8ALDH1A1RECQLCYP4F2CYP4A11
SCHEMBL3798352 0.82 KMT2A (0.50) MMP8ALDH1A1RECQLOPRK1CYP1A2
SCHEMBL8880235 0.81 MMP8 (0.44) MMP8ALDH1A1RECQLCYP4F2CYP4A11

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 MMP8 1153/4885ALDH1A1 128/4885RECQL 2945/4885
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 MMP8 2607/4885ALDH1A1 103/4885RECQL 2487/4885

“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.