SCHEMBL1027177

SCHEMBL1027177

Cc1ccc(S(=O)(=O)OCC(C)(O)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.46
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
ESR2 Q92731 6/20 0.44
ESR1 P03372 1/20 0.42
STAT3 P40763 1/20 0.42
CYP3A4 P08684 2/20 0.41
VDR P11473 1/20 0.40
RECQL P46063 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
GFER P55789 1/20 0.39

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
SCHEMBL955492 0.86 CYP2C19 (0.43) CYP2C19KMT2AALDH1A1MEN1ESR2
SCHEMBL13160701 0.85 CYP3A4 (0.42) CYP2C19KMT2AALDH1A1MEN1STAT3
SCHEMBL14132017 0.83 CYP2C19 (0.42) CYP2C19KMT2AALDH1A1ESR2ESR1
SCHEMBL14131699 0.81 CYP2C19 (0.43) CYP2C19KMT2AALDH1A1MEN1ESR2
SCHEMBL2759905 0.81 ALDH1A1 (0.51) CYP2C19KMT2AALDH1A1MEN1ESR2
SCHEMBL26906466 0.81 ALDH1A1 (0.51) CYP2C19KMT2AALDH1A1MEN1ESR2
SCHEMBL13557890 0.81 ALDH1A1 (0.56) CYP2C19KMT2AALDH1A1MEN1ESR2
SCHEMBL10555434 0.81 CYP1A2 (0.49) CYP2C19KMT2AALDH1A1MEN1STAT3
SCHEMBL547325 0.81 RECQL (0.46) CYP2C19KMT2AALDH1A1MEN1STAT3
SCHEMBL25340178 0.80 CYP24A1 (0.39) CYP2C19KMT2AALDH1A1MEN1ESR2

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-2274287-B1 INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS INC (US) 2016-03-09 EP disclosed
US-20110105504-A1 Inhibitors Of 11beta-Hydroxysteroid Dehydrogenase Type 1 Vitae Pharmaceuticals ,Inc. 2011-05-05 US disclosed
US-20110105504-A1 Inhibitors Of 11beta-Hydroxysteroid Dehydrogenase Type 1 Vitae Pharmaceuticals ,Inc. 2011-05-05 US disclosed
US-20110105504-A1 Inhibitors Of 11beta-Hydroxysteroid Dehydrogenase Type 1 Vitae Pharmaceuticals ,Inc. 2011-05-05 US disclosed
EP-2274287-A1 INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 Vitae Pharmaceuticals, Inc. (US) 2011-01-19 EP disclosed
WO-2009117109-A1 INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-09-24 WO disclosed
WO-2009117109-A1 INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-09-24 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 (1 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-20110105504-A1 Inhibitors Of 11beta-Hydroxysteroid Dehydrogenase Type 1 HSD11B1, HSD17B1, HSD11B2 CYP2C19 115/4885KMT2A 3473/4885ALDH1A1 62/4885

“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.