SCHEMBL3112503

SCHEMBL3112503

NC(=O)C12CC3CC(C1)C(N(CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(C3)C2

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.44
HSD11B2 P80365 1/20 0.41
EPHX2 P34913 3/20 0.39
CYP17A1 P05093 2/20 0.37
CYP19A1 P11511 2/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 1/20 0.36
RECQL P46063 1/20 0.35

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
SCHEMBL2833847 0.79 HSD11B1 (0.51) HSD11B1HSD11B2HPGD
SCHEMBL3112463 0.78 HSD11B1 (0.50) HSD11B1HSD11B2EPHX2
SCHEMBL1844036 0.75 HSD11B1 (0.57) HSD11B1HSD11B2EPHX2
SCHEMBL1844038 0.75 HSD11B1 (0.57) HSD11B1HSD11B2EPHX2
SCHEMBL1044166 0.75 HSD11B1 (0.57) HSD11B1HSD11B2EPHX2
SCHEMBL1844035 0.75 HSD11B1 (0.57) HSD11B1HSD11B2EPHX2
SCHEMBL4785540 0.72 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1
SCHEMBL3103174 0.68 HSD11B1 (0.48) HSD11B1HSD11B2EPHX2CYP17A1CYP19A1
SCHEMBL1733254 0.67 CYP17A1 (0.73) HSD11B1EPHX2CYP17A1CYP19A1ALDH1A1
SCHEMBL16095918 0.67 HTR2A (0.45) ALDH1A1MAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222417-B2 Compound having 11β-HSD1 inhibitory activity TAISHO PHARMACEUTICAL CO., LTD (JP) 2012-07-17 US disclosed
US-20100179325-A1 COMPOUND HAVING 11BETA-HSD1 INHIBITORY ACTIVITY TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-07-15 US disclosed
EP-2172453-A1 COMPOUND HAVING 11 ß-HSD1 INHIBITORY ACTIVITY Taisho Pharmaceutical Co. Ltd. (JP) 2010-04-07 EP 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-20100179325-A1 COMPOUND HAVING 11BETA-HSD1 INHIBITORY ACTIVITY HSD11B1, CYP4A11, HSD11B2 HSD11B1 1/4885HSD11B2 3/4885EPHX2 2538/4885

“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.