SCHEMBL6974628

SCHEMBL6974628

CCOC(=O)/C=C(\N)CC(=O)OCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.54
MGAM O43451 1/20 0.54
SI P14410 1/20 0.54
MGAM2 Q2M2H8 1/20 0.54
NPSR1 Q6W5P4 1/20 0.48
ALOX15 P16050 1/20 0.43
HCAR2 Q8TDS4 1/20 0.41
ALDH1A1 P00352 3/20 0.40
TRPA1 O75762 1/20 0.40
CYP1A2 P05177 1/20 0.39
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
PKM P14618 1/20 0.36
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL6974631 1.00 GAA (0.54) GAAMGAMSIMGAM2NPSR1
SCHEMBL14136081 0.86 GAA (0.56) GAAMGAMSIMGAM2NPSR1
SCHEMBL7912959 0.81 NPSR1 (0.54) GAAMGAMSIMGAM2NPSR1
SCHEMBL12323773 0.81 GAA (0.61) GAAMGAMSIMGAM2ALOX15
SCHEMBL3190948 0.81 NPSR1 (0.54) GAAMGAMSIMGAM2NPSR1
SCHEMBL4753860 0.81 NPSR1 (0.54) GAAMGAMSIMGAM2NPSR1
SCHEMBL7424929 0.78 NPSR1 (0.50) GAAMGAMSIMGAM2NPSR1
SCHEMBL7424926 0.78 NPSR1 (0.50) GAAMGAMSIMGAM2NPSR1
SCHEMBL9838216 0.78 GAA (0.56) GAAMGAMSIMGAM2NPSR1
SCHEMBL1061977 0.78 NPSR1 (0.50) GAAMGAMSIMGAM2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 US disclosed
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 US disclosed
EP-2997029-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2019-01-09 EP disclosed
EP-2997029-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2019-01-09 EP disclosed
US-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2018-02-15 US disclosed
US-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2018-02-15 US disclosed
US-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2018-02-15 US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 US disclosed
EP-2997029-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS Glaxosmithkline LLC (US) 2016-03-23 EP disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 US disclosed
WO-2014186313-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2014-11-20 WO disclosed
WO-2014186313-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2014-11-20 WO disclosed
US-20030176445-A1 Substituted 1,4-dihydropyridine compounds as bradykinin antagonists PFIZER INC. 2003-09-18 US disclosed
EP-1106615-B1 Substituted 1,4-dihydropyridine compounds as bradykinin antagonists PFIZER (US) 2003-03-05 EP disclosed
US-20020042421-A1 Substituted 1,4-dihydropyridine compounds as bradykinin antagonists OKUMURA YOSHIYUKI (JP) 2002-04-11 US disclosed
EP-1106615-A1 Substituted 1,4-dihydropyridine compounds as bradykinin antagonists PFIZER INC. (US) 2001-06-13 EP 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GAA 1368/4885MGAM 3989/4885SI 1013/4885
US-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GAA 1549/4885MGAM 3487/4885SI 1027/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GAA 1368/4885MGAM 3989/4885SI 1013/4885
US-20030176445-A1 Substituted 1,4-dihydropyridine compounds as bradykinin antagonists BDKRB1, BDKRB2, HRH4 GAA 4525/4885MGAM 4556/4885SI 3268/4885
US-20020042421-A1 Substituted 1,4-dihydropyridine compounds as bradykinin antagonists BDKRB1, BDKRB2, HRH4 GAA 4570/4885MGAM 4391/4885SI 3789/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 GAA 1368/4885MGAM 3989/4885SI 1013/4885

“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.