Bicalutamide

Bicalutamide

SCHEMBL679554

CC(=O)O.CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1

nearest known ligand 0.94

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

AR

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

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AR known ✓ P10275 10/20 0.94
▸ CYP2C19 P33261 1/20 0.94
▸ ABCB11 O95342 1/20 0.94
▸ ALB P02768 1/20 0.94
▸ PGR P06401 1/20 0.94
▸ ADRA2C P18825 1/20 0.94
▸ GHSR Q92847 1/20 0.94

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
Bicalutamide SCHEMBL29353850 0.97 AR (1.00) ARCYP2C19ABCB11ALBPGR
(S)-Bicalutamide SCHEMBL5365801 0.97 AR (1.00) ARCYP2C19ABCB11ALBPGR
Bicalutamide SCHEMBL3611 0.97 AR (1.00) ARCYP2C19ABCB11ALBPGR
(S)-Bicalutamide SCHEMBL29444530 0.97 AR (1.00) ARCYP2C19ABCB11ALBPGR
(R)-Bicalutamide SCHEMBL29354880 0.97 AR (1.00) ARCYP2C19ABCB11ALBPGR
(R)-Bicalutamide SCHEMBL3612 0.97 AR (1.00) ARCYP2C19ABCB11ALBPGR
Bicalutamide SCHEMBL1933417 0.97 AR (1.00) ARCYP2C19ABCB11ALBPGR
Bicalutamide SCHEMBL1561110 0.97 AR (1.00) ARCYP2C19ABCB11ALBPGR
(R)-Bicalutamide SCHEMBL28262190 0.95 AR (0.96) ARCYP2C19ABCB11ALBPGR
SCHEMBL20843744 0.91 AR (0.85) ARCYP2C19ABCB11ALBPGR

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
EP-2392323-A1 PROSTATE CANCER PROGRESSION INHIBITOR AND PROGRESSION INHIBITION METHOD Kyoto University (JP) 2011-12-07 — — EP claimed
US-20110287112-A1 PROSTATE CANCER PROGRESSION INHIBITOR AND PROGRESSION INHIBITION METHOD ONO PHARMACEUTICAL CO., LTD. (JP) 2011-11-24 — — US claimed
EP-2392323-A1 PROSTATE CANCER PROGRESSION INHIBITOR AND PROGRESSION INHIBITION METHOD Kyoto University (JP) 2011-12-07 — — EP disclosed
US-20110287112-A1 PROSTATE CANCER PROGRESSION INHIBITOR AND PROGRESSION INHIBITION METHOD ONO PHARMACEUTICAL CO., LTD. (JP) 2011-11-24 — — US 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-20110287112-A1 PROSTATE CANCER PROGRESSION INHIBITOR AND PROGRESSION INHIBITION METHOD ACP3, BPHL, AR AR 3/4885CYP2C19 1721/4885ABCB11 972/4885

“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.

Send feedback