SCHEMBL1769997

SCHEMBL1769997

O=C(C[S+]([O-])Cc1cccnc1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.60
CYP17A1 P05093 7/20 0.56
CYP19A1 P11511 7/20 0.56
P2RX7 Q99572 2/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
USP2 O75604 1/20 0.43
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.41

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
SCHEMBL13689086 0.87 HSD11B1 (0.48) HSD11B1CYP17A1CYP19A1P2RX7MEN1
SCHEMBL1769926 0.85 CYP17A1 (0.52) HSD11B1CYP17A1CYP19A1P2RX7MEN1
SCHEMBL1770371 0.81 ALDH1A1 (0.40) HSD11B1CYP17A1CYP19A1P2RX7MEN1
SCHEMBL1770008 0.78 HSD11B1 (0.67) HSD11B1CYP17A1CYP19A1P2RX7MEN1
SCHEMBL3322539 0.77 ALDH1A1 (0.41) HSD11B1P2RX7ALDH1A1LMNA
SCHEMBL1769922 0.77 HSD11B1 (0.53) HSD11B1P2RX7ALDH1A1LMNATSHR
SCHEMBL12649171 0.75 ALDH1A1 (0.35) HSD11B1CYP17A1CYP19A1MEN1KMT2A
SCHEMBL1769963 0.75 HSD11B1 (0.62) HSD11B1CYP17A1CYP19A1P2RX7MEN1
SCHEMBL1770095 0.75 HSD11B1 (0.62) HSD11B1CYP17A1CYP19A1P2RX7MEN1
SCHEMBL3321259 0.75 HSD11B1 (1.00) HSD11B1CYP17A1CYP19A1P2RX7MEN1

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 1/4885CYP17A1 23/4885CYP19A1 112/4885

“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.