SCHEMBL4998907

SCHEMBL4998907

CC(NC(=O)C1CC[C@H]2[C@@H]3CCC4N(C)C(=O)C(F)=C[C@]4(C)[C@@H]3CC[C@]12C)c1nc2cccnc2[nH]1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.66
SRD5A2 P31213 3/20 0.40
SRD5A1 P18405 2/20 0.37

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
SCHEMBL4998755 1.00 AR (0.66) ARSRD5A2SRD5A1
SCHEMBL14091134 1.00 AR (0.66) ARSRD5A2SRD5A1
SCHEMBL4998753 1.00 AR (0.66) ARSRD5A2SRD5A1
SCHEMBL5001796 1.00 AR (0.66) ARSRD5A2SRD5A1
SCHEMBL5001795 1.00 AR (0.66) ARSRD5A2SRD5A1
SCHEMBL4998754 1.00 AR (0.66) ARSRD5A2SRD5A1
SCHEMBL14091127 1.00 AR (0.66) ARSRD5A2SRD5A1
SCHEMBL4191123 0.90 AR (0.63) ARSRD5A2SRD5A1
SCHEMBL6889677 0.90 AR (0.63) ARSRD5A2SRD5A1
SCHEMBL14091133 0.88 AR (0.55) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7410977-B2 Fluorinated 4-azasteroids as androgen receptor modulators MERCK & CO., INC. (US) 2008-08-12 US disclosed
US-20070243266-A1 Fluorinated 4-Azasteroids as Androgen Receptor Modulators MERCK SHARP & DOHME CORP. 2007-10-18 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-20070243266-A1 Fluorinated 4-Azasteroids as Androgen Receptor Modulators NR5A1, AR, SHBG AR 2/4885SRD5A2 19/4885SRD5A1 15/4885

“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.