SCHEMBL4363453

SCHEMBL4363453

CC1(C)[C@@H]2CC[C@@]1(C)c1[nH]n(-c3cccc(Br)c3)c(=O)c12

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 12/20 0.44
CYP3A4 P08684 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ALKBH5 Q6P6C2 1/20 0.38
ALOX5 P09917 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HSP90AA1 P07900 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL4376905 0.86 HSD11B1 (0.60) HSD11B1CYP3A4ALDH1A1
SCHEMBL15151349 0.86 HSD11B1 (0.55) HSD11B1CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL4665667 0.86 HSD11B1 (0.55) HSD11B1CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL4367348 0.86 HSD11B1 (0.55) HSD11B1CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL15151353 0.86 HSD11B1 (0.55) HSD11B1CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL4370589 0.86 HSD11B1 (0.55) HSD11B1CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL4368782 0.80 HSD11B1 (0.56) HSD11B1CYP3A4
SCHEMBL15151453 0.80 HSD11B1 (0.44) HSD11B1CYP3A4ALDH1A1
SCHEMBL4368593 0.80 HSD11B1 (0.44) HSD11B1CYP3A4ALDH1A1
SCHEMBL4367498 0.80 SMN1; SMN2 (0.46) HSD11B1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924563-B1 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1-INHIBITOR-DIABETES-TYPE 2-1 HOFFMANN LA ROCHE (CH) 2013-07-31 EP disclosed
EP-1924563-B1 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1-INHIBITOR-DIABETES-TYPE 2-1 HOFFMANN LA ROCHE (CH) 2013-07-31 EP disclosed
US-7622492-B2 Pyrazolones as inhibitors of 11β-hydroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2009-11-24 US disclosed
US-7622492-B2 Pyrazolones as inhibitors of 11β-hydroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2009-11-24 US disclosed
US-7622492-B2 Pyrazolones as inhibitors of 11β-hydroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2009-11-24 US disclosed
EP-1924563-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1-INHIBITOR-DIABETES-TYPE 2-1 F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
WO-2007025892-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1-INHIBITOR-DIABETES-TYPE 2-1 F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed
US-20070049632-A1 Pyrazolones as inhibitors of 11B-hydroxysteroid dehydrogenase BANNER BRUCE L 2007-03-01 US disclosed
US-20070049632-A1 Pyrazolones as inhibitors of 11B-hydroxysteroid dehydrogenase BANNER BRUCE L 2007-03-01 US disclosed
US-20070049632-A1 Pyrazolones as inhibitors of 11B-hydroxysteroid dehydrogenase BANNER BRUCE L 2007-03-01 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 (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-20070049632-A1 Pyrazolones as inhibitors of 11B-hydroxysteroid dehydrogenase HSD17B1, HSD17B2, HSD3B2 HSD11B1 5/4885CYP3A4 124/4885ALDH1A1 105/4885

“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.