SCHEMBL1769926

SCHEMBL1769926

O=C(C[S+]([O-])Cc1ccncc1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 7/20 0.52
CYP19A1 P11511 6/20 0.52
ALDH1A1 P00352 3/20 0.52
HSD11B1 P28845 2/20 0.47
P2RX7 Q99572 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL13688898 0.86 CYP17A1 (0.43) CYP17A1CYP19A1ALDH1A1HSD11B1P2RX7
SCHEMBL1769997 0.85 HSD11B1 (0.60) CYP17A1CYP19A1ALDH1A1HSD11B1P2RX7
SCHEMBL3322539 0.84 ALDH1A1 (0.41) ALDH1A1HSD11B1P2RX7SMN1; SMN2GAA
SCHEMBL1769893 0.81 CYP17A1 (0.48) CYP17A1CYP19A1ALDH1A1HSD11B1SMN1; SMN2
SCHEMBL3328779 0.81 MEN1 (0.46) CYP17A1CYP19A1ALDH1A1HSD11B1P2RX7
SCHEMBL1770371 0.80 ALDH1A1 (0.40) CYP17A1CYP19A1ALDH1A1HSD11B1P2RX7
SCHEMBL1769922 0.78 HSD11B1 (0.53) ALDH1A1HSD11B1P2RX7SMN1; SMN2HTT
SCHEMBL10349958 0.77 ALDH1A1 (0.42) ALDH1A1HSD11B1MEN1KMT2AHTT
SCHEMBL3321305 0.76 HSD11B1 (0.54) ALDH1A1HSD11B1KMT2AKDM4E
SCHEMBL12649171 0.74 ALDH1A1 (0.35) CYP17A1CYP19A1ALDH1A1HSD11B1SMN1; SMN2

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 CYP17A1 23/4885CYP19A1 112/4885ALDH1A1 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.