SCHEMBL4157961

SCHEMBL4157961

CCCCCCNC(=O)C(CC(C)C)Oc1ccc(C#N)c(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 0.43
MGLL Q99685 1/20 0.42
CTSK P43235 5/20 0.42
PTGS2 P35354 1/20 0.40

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
SCHEMBL4152165 0.92 AR (0.45) ARCTSK
SCHEMBL13771928 0.90 AR (0.40) ARCTSK
SCHEMBL4135555 0.88 CTSK (0.47) ARCTSK
SCHEMBL13771901 0.88 AR (0.45) ARCTSK
SCHEMBL4142384 0.88 AR (0.47) AR
SCHEMBL13771904 0.88 AR (0.41) ARCTSK
SCHEMBL13771924 0.88 AR (0.41) ARCTSK
SCHEMBL4149823 0.86 AR (0.45) AR
SCHEMBL13771944 0.86 AR (0.42) ARCTSK
SCHEMBL13771926 0.85 AR (0.43) ARCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192202-A1 ANDROGEN MODULATORS PFIZER INC 2009-07-30 US disclosed
US-7507860-B2 Androgen modulators PFIZER INC. (US) 2009-03-24 US disclosed
US-20070197641-A1 Androgen modulators HU LAIN-YEN 2007-08-23 US disclosed
EP-1737813-A1 ANDROGEN MODULATORS Warner-Lambert Company LLC (US) 2007-01-03 EP disclosed
WO-2005100305-A1 ANDROGEN MODULATORS WARNER-LAMBERT COMPANY LLC (US) 2005-10-27 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 (2 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-20070197641-A1 Androgen modulators AR, NR5A1, SHBG AR 1/4885MGLL 3793/4885CTSK 3275/4885
US-20090192202-A1 ANDROGEN MODULATORS AR, NR5A1, SHBG AR 1/4885MGLL 3793/4885CTSK 3275/4885

“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.