SCHEMBL12138658

SCHEMBL12138658

[C-]#[N+]c1ccc(N[C@@H](C(=O)NNC(=O)c2ccc(C#N)cc2)[C@H](C)O[Si](C)(C)C(C)(C)C)c2ccsc12

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL12339310 1.00 POLB (0.35) POLBRXFP1ALDH1A1PKMKDM4E
SCHEMBL1364709 0.89 POLB (0.36) POLBRXFP1ALDH1A1PKMKDM4E
SCHEMBL12138695 0.85 POLB (0.39) POLBRXFP1ALDH1A1PKMKDM4E
SCHEMBL12138654 0.85 POLB (0.39) POLBRXFP1ALDH1A1PKMKDM4E
SCHEMBL12138302 0.84
SCHEMBL12138485 0.82 TRPA1 (0.32) ALDH1A1PKM
SCHEMBL12138389 0.82 TRPA1 (0.32) ALDH1A1PKM
SCHEMBL12138542 0.80 MEN1 (0.38) ALDH1A1PKMMEN1KMT2A
SCHEMBL12138520 0.79 TRPA1 (0.37) RXFP1ALDH1A1PKM
SCHEMBL12138509 0.79 TRPA1 (0.37) RXFP1ALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629167-B2 Selective androgen receptor modulators RADIUS HEALTH, INC. (US) 2014-01-14 US disclosed
US-8455525-B2 Selective androgen receptor modulators RADIUS HEALTH, INC. (US) 2013-06-04 US disclosed
US-20130116288-A1 Selective Androgen Receptor Modulators RADIUS HEALTH, INC. (US) 2013-05-09 US disclosed
US-8067448-B2 Selective androgen receptor modulators RADIUS HEALTH, INC. (US) 2011-11-29 US disclosed
US-20110224267-A1 Selective androgen receptor modulators Radius Health,Inc. (US) 2011-09-15 US disclosed
US-20090253758-A1 Selective androgen receptor modulators ELLIPSES PHARMA LTD (GB) 2009-10-08 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 (3 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-20110224267-A1 Selective androgen receptor modulators AR, SHBG, GPR119 POLB 3458/4885RXFP1 886/4885ALDH1A1 910/4885
US-20130116288-A1 Selective Androgen Receptor Modulators AR, SHBG, IGF1R POLB 3329/4885RXFP1 1239/4885ALDH1A1 691/4885
US-20090253758-A1 Selective androgen receptor modulators AR, SHBG, GPR119 POLB 3458/4885RXFP1 886/4885ALDH1A1 910/4885

“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.