SCHEMBL3747577

SCHEMBL3747577

Fc1c(Br)ccc(OCC2CO2)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
GLA P06280 1/20 0.47
TDP1 Q9NUW8 1/20 0.43
TP53 P04637 3/20 0.42
TSHR P16473 3/20 0.42
HIF1A Q16665 2/20 0.42
CYP3A4 P08684 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PKM P14618 2/20 0.38
CYP1A2 P05177 1/20 0.38
PPARG P37231 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
KDM1A O60341 2/20 0.38
KCNH2 Q12809 2/20 0.38
KDM1B Q8NB78 2/20 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
SCHEMBL19692955 0.85 ALDH1A1 (0.54) ALDH1A1GLATDP1TP53TSHR
SCHEMBL19692956 0.85 ALDH1A1 (0.54) ALDH1A1GLATDP1TP53TSHR
SCHEMBL29650225 0.85 ALDH1A1 (0.54) ALDH1A1GLATDP1TP53TSHR
SCHEMBL4430970 0.81 ALDH1A1 (0.53) ALDH1A1GLATDP1TP53TSHR
SCHEMBL29847319 0.80 ALDH1A1 (0.51) ALDH1A1GLATDP1TP53TSHR
SCHEMBL5362466 0.79 ALDH1A1 (0.50) ALDH1A1GLATDP1TP53TSHR
SCHEMBL29653749 0.79 ALDH1A1 (0.50) ALDH1A1GLATDP1TP53TSHR
SCHEMBL9774749 0.79 ALDH1A1 (0.50) ALDH1A1GLATDP1TP53TSHR
SCHEMBL3738269 0.77 ALDH1A1 (0.47) ALDH1A1GLATDP1TP53TSHR
SCHEMBL6371705 0.75 ALDH1A1 (0.54) ALDH1A1GLATDP1TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9227914-B2 Calcilytic compounds GlaxoSmithKline, LLC (US) 2016-01-05 US disclosed
US-20150183723-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2015-07-02 US disclosed
US-8980950-B2 Calcilytic compounds GlaxoSmithKline, LLC (US) 2015-03-17 US disclosed
US-20140057980-A1 CALCILYTIC COMPOUNDS GlaxoSmithKline, LLC (US) 2014-02-27 US disclosed
US-8586631-B2 Calcilytic compounds GlaxoSmithKline, LLC (US) 2013-11-19 US disclosed
US-20130158114-A1 Calcilytic Compounds GlaxoSmithKline, LLC (US) 2013-06-20 US disclosed
US-8399517-B2 Calcilytic compounds GlaxoSmithKline, LLC (US) 2013-03-19 US disclosed
US-20110054021-A1 Calcilytic Compounds GLAXOSMITHKLINE LLC 2011-03-03 US disclosed
US-7829594-B2 calcium receptor antagonists such as 3-{3,4-Difluoro-5-[(R)-2-hydroxy-3-(2-indan-2-yl-1,1-dimethyl-ethylamino)-propoxyl]-phenyl}-propionic acid, used to increase serum parathyroid hormone levels in mammals GlaxoSmithKline, LLC (US) 2010-11-09 US disclosed
US-20090163589-A1 Calcilytic Compounds SMITHKLINE BEECHAM. CORP. 2009-06-25 US disclosed
US-7514473-B2 Calcilytic compounds SMITHKLINE BEECHAM, CORP. (US) 2009-04-07 US disclosed
US-20060058391-A1 Calcilytic compounds SMITHKLINE BEECHAM CORPORATION 2006-03-16 US disclosed
EP-1569892-A2 CALCILYTIC COMPOUNDS SmithKline Beecham Corporation (US) 2005-09-07 EP disclosed
WO-2004047751-A2 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-06-10 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 (6 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-20090163589-A1 Calcilytic Compounds SOST, CALCB, CALCR ALDH1A1 4747/4885GLA 240/4885TDP1 3662/4885
US-20130158114-A1 Calcilytic Compounds SOST, CALCB, CALCR ALDH1A1 4747/4885GLA 240/4885TDP1 3662/4885
US-20060058391-A1 Calcilytic compounds SOST, CALCB, CALCR ALDH1A1 4747/4885GLA 240/4885TDP1 3662/4885
US-20110054021-A1 Calcilytic Compounds SOST, CALCB, CALCR ALDH1A1 4747/4885GLA 240/4885TDP1 3662/4885
US-20150183723-A1 Calcilytic Compounds SOST, CALCB, CALCR ALDH1A1 4747/4885GLA 240/4885TDP1 3662/4885
US-20140057980-A1 CALCILYTIC COMPOUNDS SOST, CALCB, CALCR ALDH1A1 4747/4885GLA 240/4885TDP1 3662/4885

“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.