SCHEMBL3323112

SCHEMBL3323112

O=C(O)CS(=O)(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
POLB P06746 2/20 0.37
GAA P10253 1/20 0.35
THRB P10828 1/20 0.35
CYP2C9 P11712 1/20 0.35
P2RX7 Q99572 1/20 0.35
EPHX2 P34913 4/20 0.34
EPHX1 P07099 1/20 0.34
TSHR P16473 1/20 0.34
HSD11B1 P28845 2/20 0.33
ALOX15 P16050 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALOX5 P09917 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
SCHEMBL13069802 0.73 GAA (0.36) ALDH1A1GAAEPHX2TSHRHSD11B1
SCHEMBL36264 0.67 GAA (0.44) ALDH1A1POLBGAATHRBCYP2C9
SCHEMBL9001234 0.67 GAA (0.39) POLBGAATHRBCYP2C9TSHR
SCHEMBL17038575 0.67 DPP4 (0.32) GAA
SCHEMBL27437117 0.67 SLC22A2 (0.35) ALDH1A1GAAEPHX2EPHX1
SCHEMBL28375490 0.66 GAA (0.42) ALDH1A1POLBGAATHRBCYP2C9
SCHEMBL3239648 0.66 HSD11B1 (0.48) ALDH1A1HTTP2RX7EPHX2TSHR
SCHEMBL1239169 0.66 GAA (0.42) ALDH1A1POLBGAATHRBCYP2C9
Water SCHEMBL2573342 0.66 GAA (0.42) ALDH1A1POLBGAATHRBCYP2C9
SCHEMBL15772817 0.66 GAA (0.42) ALDH1A1POLBGAATHRBCYP2C9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120789-A1 Compound STERIX LIMITED (GB) 2010-05-13 US disclosed
US-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors STERIX LIMITED (GB) 2009-02-12 US disclosed
EP-1861384-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS Sterix Limited (GB) 2007-12-05 EP disclosed
WO-2006100502-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS STERIX LIMITED (GB) 2006-09-28 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-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors HSD3B1, HSD3B2, HSD11B1 ALDH1A1 437/4885KDM4E 1839/4885HTT 4393/4885
US-20100120789-A1 Compound NR0B2, NR0B1, NR4A1 ALDH1A1 3143/4885KDM4E 1594/4885HTT 4373/4885

“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.