SCHEMBL3328779

SCHEMBL3328779

CC(C)(C)c1ccc(C[S+]([O-])CC(=O)C23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
EPHX2 P34913 4/20 0.40
HSD11B1 P28845 3/20 0.38
HPGD P15428 1/20 0.36
CYP17A1 P05093 2/20 0.36
CYP19A1 P11511 2/20 0.36
ALDH1A1 P00352 3/20 0.36
NAAA Q02083 1/20 0.36
HSP90AA1 P07900 1/20 0.35
LMNA P02545 2/20 0.34
P2RX7 Q99572 1/20 0.34

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
SCHEMBL13949542 0.87 MEN1 (0.39) MEN1KMT2AEPHX2HSD11B1ALDH1A1
SCHEMBL3322539 0.83 ALDH1A1 (0.41) HSD11B1HPGDALDH1A1LMNAP2RX7
SCHEMBL1769926 0.81 CYP17A1 (0.52) MEN1KMT2AHSD11B1CYP17A1CYP19A1
SCHEMBL1770371 0.77 ALDH1A1 (0.40) MEN1KMT2AHSD11B1HPGDCYP17A1
SCHEMBL3322239 0.74 MEN1 (0.48) MEN1KMT2AEPHX2HSD11B1HPGD
SCHEMBL10349958 0.74 ALDH1A1 (0.42) MEN1KMT2AHSD11B1ALDH1A1HSP90AA1
SCHEMBL1769997 0.74 HSD11B1 (0.60) MEN1KMT2AHSD11B1CYP17A1CYP19A1
SCHEMBL3321390 0.73 MEN1 (0.47) MEN1KMT2AEPHX2HSD11B1HPGD
SCHEMBL13778162 0.72 LMNA (0.48) MEN1KMT2AEPHX2ALDH1A1LMNA
SCHEMBL12649171 0.71 ALDH1A1 (0.35) MEN1KMT2AHSD11B1CYP17A1CYP19A1

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-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
US-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors STERIX LIMITED (GB) 2009-02-12 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-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors HSD3B1, HSD3B2, HSD11B1 MEN1 3474/4885KMT2A 3083/4885EPHX2 481/4885
US-20100120789-A1 Compound NR0B2, NR0B1, NR4A1 MEN1 2608/4885KMT2A 2533/4885EPHX2 1653/4885

“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.