SCHEMBL1363025

SCHEMBL1363025

C[C@H](O)[C@@H](Nc1ccc(C#N)c(Cl)c1Cl)C(=O)NNC(=O)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 6/20 0.40
POLB P06746 3/20 0.39
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
S1PR1 P21453 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL12140356 1.00 S1PR3 (0.40) S1PR3POLBALDH1A1TDP1CASP3
SCHEMBL1363718 0.92 AR (0.43) S1PR3POLBALDH1A1TDP1KDM4E
SCHEMBL1363222 0.92 AR (0.43) S1PR3POLBALDH1A1TDP1KDM4E
SCHEMBL12140312 0.91 CXCR1 (0.38) S1PR3POLBALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL1365002 0.91 CXCR1 (0.38) S1PR3POLBALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL12140344 0.91 CXCR1 (0.38) S1PR3POLBALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL12140371 0.87 S1PR3 (0.39) S1PR3POLBALDH1A1TDP1CASP3
SCHEMBL1364665 0.85 AR (0.43) S1PR3
SCHEMBL12307978 0.85 AR (0.43) S1PR3ALDH1A1KDM4EGAAS1PR1
SCHEMBL1363767 0.85 AR (0.43) S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2260028-B1 SELECTIVE ANDROGEN RECEPTOR MODULATORS RADIUS HEALTH INC (US) 2014-05-07 EP disclosed
EP-2260028-B1 SELECTIVE ANDROGEN RECEPTOR MODULATORS RADIUS HEALTH INC (US) 2014-05-07 EP disclosed
US-8629167-B2 Selective androgen receptor modulators RADIUS HEALTH, INC. (US) 2014-01-14 US disclosed
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-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-20130116288-A1 Selective Androgen Receptor Modulators RADIUS HEALTH, INC. (US) 2013-05-09 US disclosed
US-8268872-B2 Selective androgen receptor modulators RADIUS HEALTH, INC. (US) 2012-09-18 US disclosed
US-8268872-B2 Selective androgen receptor modulators RADIUS HEALTH, INC. (US) 2012-09-18 US disclosed
US-8067448-B2 Selective androgen receptor modulators RADIUS HEALTH, INC. (US) 2011-11-29 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
EP-2260028-A2 SELECTIVE ANDROGEN RECEPTOR MODULATORS Radius Health, Inc. (US) 2010-12-15 EP disclosed
US-20100041721-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS RADIUS HEALTH, INC. (US) 2010-02-18 US disclosed
US-20100041721-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS RADIUS HEALTH, INC. (US) 2010-02-18 US disclosed
US-20090253758-A1 Selective androgen receptor modulators ELLIPSES PHARMA LTD (GB) 2009-10-08 US disclosed
US-20090253758-A1 Selective androgen receptor modulators ELLIPSES PHARMA LTD (GB) 2009-10-08 US disclosed
WO-2009105214-A2 SELECTIVE ANDROGEN RECEPTOR MODULATORS RADIUS HEALTH, INC. (US) 2009-08-27 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 (4 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-20100041721-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS AR, SHBG, IGF1R S1PR3 3207/4885POLB 3486/4885ALDH1A1 809/4885
US-20110224267-A1 Selective androgen receptor modulators AR, SHBG, GPR119 S1PR3 2534/4885POLB 3458/4885ALDH1A1 910/4885
US-20130116288-A1 Selective Androgen Receptor Modulators AR, SHBG, IGF1R S1PR3 3431/4885POLB 3329/4885ALDH1A1 691/4885
US-20090253758-A1 Selective androgen receptor modulators AR, SHBG, GPR119 S1PR3 2534/4885POLB 3458/4885ALDH1A1 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.