SCHEMBL220763

SCHEMBL220763

Cc1c(N[C@@H](C(=O)O)C(C)(C)O)ccc(C#N)c1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 14/20 0.49
PGR P06401 2/20 0.40
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
ABCC9 O60706 1/20 0.38
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 1/20 0.38
KCNJ8 Q15842 1/20 0.38

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
SCHEMBL220764 1.00 AR (0.49) ARPGRPDK1PDK2PDK3
SCHEMBL222984 0.84 AR (0.45) ARPGR
SCHEMBL222985 0.84 AR (0.45) ARPGR
SCHEMBL1291583 0.81 AR (0.45) ARPGR
SCHEMBL1291586 0.81 AR (0.45) ARPGR
SCHEMBL1365327 0.81 AR (0.46) ARPGR
SCHEMBL1291443 0.81 AR (0.46) ARPGR
SCHEMBL223736 0.80 AR (0.40) ARPGR
SCHEMBL223295 0.80 AR (0.40) ARPGRPDK1PDK2PDK3
SCHEMBL223294 0.80 AR (0.40) ARPGRPDK1PDK2PDK3

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-8642632-B2 Selective androgen receptor modulators RADIUS HEALTH, INC. (US) 2014-02-04 US disclosed
US-8642632-B2 Selective androgen receptor modulators RADIUS HEALTH, INC. (US) 2014-02-04 US disclosed
US-20120004270-A1 Selective Androgen Receptor Modulators RADIUS HEALTH, INC. (US) 2012-01-05 US disclosed
US-20120004270-A1 Selective Androgen Receptor Modulators RADIUS HEALTH, INC. (US) 2012-01-05 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-20120004270-A1 Selective Androgen Receptor Modulators AR, NR3C2, NR5A1 AR 1/4885PGR 54/4885PDK1 561/4885

“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.