SCHEMBL1769989

SCHEMBL1769989

NC(=O)c1ccc(SCC(=O)C23CC4CC(CC(C4)C2)C3)nc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
LMNA P02545 3/20 0.44
HSD11B1 P28845 2/20 0.44
PTGES O14684 1/20 0.44
NPSR1 Q6W5P4 2/20 0.42
HTT P42858 2/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
STAT6 P42226 1/20 0.42
KMT2A Q03164 1/20 0.42
HIF1A Q16665 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
PPARG P37231 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
HSP90AA1 P07900 1/20 0.40

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
SCHEMBL1770200 0.89 ALDH1A1 (0.48) ALDH1A1LMNAHSD11B1PTGESNPSR1
SCHEMBL13689087 0.87 HDAC6 (0.35) ALDH1A1LMNAHSD11B1PTGESSMN1; SMN2
SCHEMBL1770119 0.84 HSD11B1 (0.51) ALDH1A1LMNAHSD11B1PTGESNPSR1
SCHEMBL1769981 0.84 HSD11B1 (0.45) ALDH1A1LMNAHSD11B1PTGESNPSR1
SCHEMBL1770278 0.82 HSD11B1 (0.43) ALDH1A1LMNAHSD11B1PTGESNPSR1
SCHEMBL1770089 0.79 ALDH1A1 (0.51) ALDH1A1LMNAHSD11B1PTGESNPSR1
SCHEMBL1770115 0.76 ALDH1A1 (0.54) ALDH1A1LMNAHSD11B1PTGESMAPT
SCHEMBL13688862 0.72 HSD11B1 (0.41) HSD11B1NPSR1SMN1; SMN2KMT2ATP53
SCHEMBL13688860 0.71 CXCR2 (0.39) HTTMAPTKDM4ERAB9A
SCHEMBL1770030 0.70 PTGES (0.52) ALDH1A1LMNAHSD11B1PTGESNPSR1

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 ALDH1A1 307/4885LMNA 3795/4885HSD11B1 1/4885

“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.