SCHEMBL1769934

SCHEMBL1769934

O=C(COCc1ccc(C(F)(F)F)nc1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.61
HSP90AA1 P07900 2/20 0.43
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP17A1 P05093 2/20 0.40
CYP19A1 P11511 2/20 0.40
CYP3A4 P08684 1/20 0.39
CYP3A5 P20815 1/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL13688856 0.94 HSD11B1 (0.55) HSD11B1HSP90AA1ALDH1A1SMN1; SMN2CYP17A1
SCHEMBL3322286 0.83 HSD11B1 (0.70) HSD11B1HSP90AA1ALDH1A1SMN1; SMN2CYP17A1
SCHEMBL1769988 0.79 DAO (0.42) HSD11B1ALDH1A1SMN1; SMN2CYP3A4CYP3A5
SCHEMBL1770249 0.78 ALDH1A1 (0.40) HSD11B1ALDH1A1SMN1; SMN2CYP17A1CYP19A1
SCHEMBL3323197 0.76 HSD11B1 (0.72) HSD11B1HSP90AA1ALDH1A1SMN1; SMN2CYP17A1
SCHEMBL3321259 0.76 HSD11B1 (1.00) HSD11B1HSP90AA1ALDH1A1SMN1; SMN2CYP17A1
SCHEMBL3320789 0.75 HSD11B1 (0.67) HSD11B1HSP90AA1ALDH1A1SMN1; SMN2CYP17A1
SCHEMBL13689115 0.74 DAO (0.40) HSD11B1ALDH1A1CYP3A4CYP3A5LMNA
SCHEMBL13333552 0.73 HSD11B1 (0.71) HSD11B1HSP90AA1ALDH1A1SMN1; SMN2CYP17A1
SCHEMBL3321257 0.73 HSD11B1 (0.64) HSD11B1HSP90AA1ALDH1A1SMN1; SMN2CYP17A1

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-20110112151-A1 COMPOUND CAPABLE OF INHIBITING 11-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2011-05-12 US disclosed
US-20110112151-A1 COMPOUND CAPABLE OF INHIBITING 11-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2011-05-12 US disclosed
EP-2257528-A2 1 IBETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS Sterix Limited (GB) 2010-12-08 EP disclosed
WO-2009106817-A2 COMPOUND STERIX LIMITED (GB) 2009-09-03 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-20110112151-A1 COMPOUND CAPABLE OF INHIBITING 11-BETA HYDROXYSTERIOD DEHYDROGENASE HSD11B1, HSD11B2, HSD3B1 HSD11B1 1/4885HSP90AA1 2122/4885ALDH1A1 307/4885

“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.