SCHEMBL3740648

SCHEMBL3740648

CCOC(=O)CCc1ccc(Br)c(O)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.58
CYP4A11 Q02928 2/20 0.58
APP P05067 2/20 0.55
CYP4Z1 Q86W10 1/20 0.47
IAPP P10997 3/20 0.46
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
P2RY12 Q9H244 1/20 0.45
TNF P01375 1/20 0.42
PTPN1 P18031 2/20 0.42
SLC5A1 P13866 1/20 0.42
SLC5A2 P31639 1/20 0.42
YWHAG P61981 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL3746070 0.88 CYP4F2 (0.58) CYP4F2CYP4A11APPCYP4Z1IAPP
SCHEMBL30291871 0.86 APP (0.73) CYP4F2CYP4A11APPCYP4Z1IAPP
SCHEMBL490911 0.86 APP (0.73) CYP4F2CYP4A11APPCYP4Z1IAPP
SCHEMBL4190020 0.84 APP (0.50) APPIAPPPTPN1
SCHEMBL16319014 0.84 CYP4F2 (0.61) CYP4F2CYP4A11APPCYP4Z1IAPP
SCHEMBL12984627 0.84 CYP4F2 (0.56) CYP4F2CYP4A11APPCYP4Z1PDE3B
SCHEMBL31511763 0.84 CYP4F2 (0.56) CYP4F2CYP4A11APPCYP4Z1PDE3B
SCHEMBL17295176 0.82 CYP4F2 (0.55) CYP4F2CYP4A11CYP4Z1PDE3BPDE3A
SCHEMBL9925913 0.82 CYP4F2 (0.58) CYP4F2CYP4A11APPCYP4Z1IAPP
SCHEMBL5274836 0.82 CYP4F2 (0.58) CYP4F2CYP4A11APPCYP4Z1IAPP

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9227914-B2 Calcilytic compounds GlaxoSmithKline, LLC (US) 2016-01-05 US disclosed
US-9227914-B2 Calcilytic compounds GlaxoSmithKline, LLC (US) 2016-01-05 US disclosed
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-20150183723-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2015-07-02 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-8980950-B2 Calcilytic compounds GlaxoSmithKline, LLC (US) 2015-03-17 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-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-20090163589-A1 Calcilytic Compounds SMITHKLINE BEECHAM. CORP. 2009-06-25 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-7514473-B2 Calcilytic compounds SMITHKLINE BEECHAM, CORP. (US) 2009-04-07 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 (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-20090163589-A1 Calcilytic Compounds SOST, CALCB, CALCR CYP4F2 2478/4885CYP4A11 3734/4885APP 1632/4885
US-20060058391-A1 Calcilytic compounds SOST, CALCB, CALCR CYP4F2 2478/4885CYP4A11 3736/4885APP 1632/4885
US-20150183723-A1 Calcilytic Compounds SOST, CALCB, CALCR CYP4F2 2478/4885CYP4A11 3736/4885APP 1632/4885
US-20140057980-A1 CALCILYTIC COMPOUNDS SOST, CALCB, CALCR CYP4F2 2478/4885CYP4A11 3736/4885APP 1632/4885

“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.