Abiraterone

Abiraterone

SCHEMBL16381720

C[C@]12CC[C@H](O)CC1=CCC1[C@@H]2CC[C@]2(C)C(c3cccnc3)=CC[C@@H]12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ARCYP17A1SRD5A1SRD5A2SRD5A3

The experimentally established mechanism targets of Abiraterone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 known ✓ P05093 16/20 1.00
▸ AR known ✓ P10275 1/20 0.71
▸ CYP21A2 P08686 6/20 1.00
▸ CYP11B1 P15538 2/20 1.00
▸ CYP3A4 P08684 1/20 1.00
▸ CYP11B2 P19099 1/20 1.00
▸ CDK8 P49336 3/20 0.72
▸ PGR P06401 1/20 0.71

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
Abiraterone SCHEMBL15700283 1.00 CYP17A1 (1.00) CYP17A1CYP21A2CYP11B1CYP3A4CYP11B2
Abiraterone SCHEMBL16439307 1.00 CYP17A1 (1.00) CYP17A1CYP21A2CYP11B1CYP3A4CYP11B2
Abiraterone SCHEMBL16383633 1.00 CYP17A1 (1.00) CYP17A1CYP21A2CYP11B1CYP3A4CYP11B2
Abiraterone SCHEMBL23924960 1.00 CYP17A1 (1.00) CYP17A1CYP21A2CYP11B1CYP3A4CYP11B2
Abiraterone SCHEMBL17384662 1.00 CYP17A1 (1.00) CYP17A1CYP21A2CYP11B1CYP3A4CYP11B2
Abiraterone SCHEMBL25074918 1.00 CYP17A1 (1.00) CYP17A1CYP21A2CYP11B1CYP3A4CYP11B2
Abiraterone SCHEMBL17384634 1.00 CYP17A1 (1.00) CYP17A1CYP21A2CYP11B1CYP3A4CYP11B2
Abiraterone SCHEMBL13735874 1.00 CYP17A1 (1.00) CYP17A1CYP21A2CYP11B1CYP3A4CYP11B2
Abiraterone SCHEMBL22414103 1.00 CYP17A1 (1.00) CYP17A1CYP21A2CYP11B1CYP3A4CYP11B2
Abiraterone SCHEMBL19724576 1.00 CYP17A1 (1.00) CYP17A1CYP21A2CYP11B1CYP3A4CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9937259-B2 Abiraterone derivatives and non-covalent complexes with albumin ZHUHAI BEIHAI BIOTECH CO., LTD. (CN) 2018-04-10 — — US disclosed
US-9556218-B2 Process for the preparation of abiraterone and intermediates thereof SCINOPHARM TAIWAN, LTD. (TW) 2017-01-31 — — US disclosed
US-20150005489-A1 PROCESS FOR THE PREPARATION OF ABIRATERONE AND INTERMEDIATES THEREOF SCINOPHARM TAIWAN, LTD. (CN) 2015-01-01 — — US disclosed
WO-2014207567-A2 PROCESS FOR THE PREPARATION OF ABIRATERONE AND INTERMEDIATES THEREOF SCINOPHARM TAIWAN, LTD. (TW) 2014-12-31 — — 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-20150005489-A1 PROCESS FOR THE PREPARATION OF ABIRATERONE AND INTERMEDIATES THEREOF CYP17A1, CYP21A2, CYP19A1 CYP17A1 1/4885AR 19/4885CYP21A2 2/4885

“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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