SCHEMBL7529348

SCHEMBL7529348

CN1C(=O)CC[C@@]2(C)C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD17B7 P56937 1/20 0.60
SRD5A1 P18405 1/20 0.59
SRD5A2 P31213 1/20 0.59

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
SCHEMBL13656757 1.00 HSD17B7 (0.60) HSD17B7SRD5A1SRD5A2
SCHEMBL7527383 1.00 HSD17B7 (0.60) HSD17B7SRD5A1SRD5A2
SCHEMBL7527375 1.00 HSD17B7 (0.60) HSD17B7SRD5A1SRD5A2
SCHEMBL14561091 0.84 SRD5A1 (0.56) HSD17B7SRD5A1SRD5A2
SCHEMBL7524799 0.84 HSD17B7 (0.57) HSD17B7SRD5A1SRD5A2
SCHEMBL5408042 0.84 SRD5A1 (0.56) HSD17B7SRD5A1SRD5A2
SCHEMBL5427981 0.84 SRD5A1 (0.56) SRD5A1SRD5A2
SCHEMBL7524800 0.84 HSD17B7 (0.57) HSD17B7SRD5A1SRD5A2
SCHEMBL5408037 0.84 SRD5A1 (0.56) HSD17B7SRD5A1SRD5A2
SCHEMBL10273977 0.84 CYP19A1 (0.53)

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2660241-A2 C-17-HETEROARYL STEROIDAL COMPOUNDS AS INHIBITORS OF CYP11B, CYP17, AND/OR CYP21 BioMarin Pharmaceutical Inc. (US) 2013-11-06 EP disclosed
US-20130252930-A1 CYP11B, CYP17, AND/OR CYP21 INHIBITORS BIOMARIN PHARMACEUTICAL INC. (CA) 2013-09-26 US disclosed
US-20130252930-A1 CYP11B, CYP17, AND/OR CYP21 INHIBITORS BIOMARIN PHARMACEUTICAL INC. (CA) 2013-09-26 US disclosed
WO-2012083112-A2 CYP11B, CYP17, AND/OR CYP21 INHIBITORS BIOMARIN PHARMACEUTICAL INC. (US) 2012-06-21 WO disclosed
EP-0705272-B1 NOVEL PROCESS FOR PREPARING 17 BETA-SUBSTITUTED 4-AZAANDROSTANE DERIVATIVES RICHTER GEDEON VEGYESZET (HU) 2002-03-27 EP disclosed
EP-0705272-A1 NOVEL PROCESS FOR PREPARING 17 BETA-SUBSTITUTED 4-AZAANDROSTANE DERIVATIVES RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1996-04-10 EP disclosed
WO-1995000531-A1 NOVEL PROCESS FOR PREPARING 17β-SUBSTITUTED 4-AZAANDROSTANE DERIVATIVES Richter Gedeon Vegyészeti Gyár Rt. (HU) 1995-01-05 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-20130252930-A1 CYP11B, CYP17, AND/OR CYP21 INHIBITORS CYP4A11, HSD17B11, CYP21A2 HSD17B7 17/4885SRD5A1 38/4885SRD5A2 47/4885

“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.