SCHEMBL5219035

SCHEMBL5219035

C[C@]12CC[C@H]3[C@@H](CC=C4N(C5CC5)C(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1ccccc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.54
SRD5A2 P31213 8/20 0.54
SRD5A1 P18405 7/20 0.53
LMNA P02545 1/20 0.43
ABCB11 O95342 1/20 0.43
GLRA1 P23415 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43

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
SCHEMBL5219041 1.00 AR (0.54) ARSRD5A2SRD5A1LMNAABCB11
SCHEMBL5215209 0.91 AR (0.58) ARSRD5A2SRD5A1
SCHEMBL5215212 0.91 AR (0.58) ARSRD5A2SRD5A1
SCHEMBL5211407 0.90 SRD5A1 (0.51) ARSRD5A2SRD5A1
SCHEMBL5211416 0.90 SRD5A1 (0.51) ARSRD5A2SRD5A1
SCHEMBL5214043 0.89 SRD5A1 (0.51) ARSRD5A2SRD5A1
SCHEMBL5214051 0.89 SRD5A1 (0.51) ARSRD5A2SRD5A1
SCHEMBL5216000 0.88 SRD5A1 (0.51) SRD5A2SRD5A1
SCHEMBL5215995 0.88 SRD5A1 (0.51) SRD5A2SRD5A1
SCHEMBL5219383 0.86 SRD5A2 (0.57) ARSRD5A2SRD5A1

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-1420796-A4 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK & CO INC (US) 2007-07-11 EP claimed
EP-1420796-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF Merck & Co., Inc. (US) 2004-05-26 EP claimed
US-6645974-B2 Administering an androstamide compound; osteoporosis, anticancer agents, glandular disorders MERCK & CO., INC. 2003-11-11 US claimed
US-20030065004-A1 Androgen receptor modulators and methods for use thereof MERCK SHARP & DOHME CORP. 2003-04-03 US claimed
WO-2003011302-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK & CO., INC. (US) 2003-02-13 WO claimed
US-6645974-B2 Administering an androstamide compound; osteoporosis, anticancer agents, glandular disorders MERCK & CO., INC. 2003-11-11 US disclosed
US-20030065004-A1 Androgen receptor modulators and methods for use thereof MERCK SHARP & DOHME CORP. 2003-04-03 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-20030065004-A1 Androgen receptor modulators and methods for use thereof AR, FSHR, SHBG AR 1/4885SRD5A2 80/4885SRD5A1 58/4885

“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.