SCHEMBL1770040

SCHEMBL1770040

Cc1nnc(SCC(=O)C23CC4CC(CC(C4)C2)C3)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 4/20 1.00
▸ ALDH1A1 P00352 5/20 0.68
▸ GAA P10253 3/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ NPC1 O15118 2/20 0.52
▸ HPGD P15428 1/20 0.51
▸ RAB9A P51151 1/20 0.48
▸ PKM P14618 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ MAPT P10636 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ HTT P42858 1/20 0.46

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
SCHEMBL1770105 0.87 HSD11B1 (0.78) HSD11B1ALDH1A1GAAL3MBTL1NPC1
SCHEMBL1769899 0.84 HSD11B1 (0.73) HSD11B1ALDH1A1GAANPC1HPGD
SCHEMBL1770139 0.84 HSD11B1 (0.72) HSD11B1ALDH1A1GAAL3MBTL1NPC1
SCHEMBL1770128 0.82 HSD11B1 (0.69) HSD11B1ALDH1A1NPC1RAB9AKMT2A
SCHEMBL1770047 0.78 HSD11B1 (0.64) HSD11B1ALDH1A1L3MBTL1NPC1HPGD
SCHEMBL11802526 0.75 GAA (0.71) HSD11B1ALDH1A1GAAL3MBTL1NPC1
SCHEMBL1770330 0.73 HSD11B1 (0.58) HSD11B1ALDH1A1NPC1RAB9AKMT2A
SCHEMBL1686848 0.73 GAA (1.00) HSD11B1ALDH1A1GAAL3MBTL1NPC1
SCHEMBL10402042 0.73 GAA (0.73) HSD11B1ALDH1A1GAAL3MBTL1NPC1
SCHEMBL11927276 0.73 GAA (0.73) HSD11B1ALDH1A1GAAL3MBTL1NPC1

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 5 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
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 1/4885ALDH1A1 307/4885GAA 1456/4885

“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.

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