SCHEMBL2847686

SCHEMBL2847686

COc1cc(CNC(N)=S)ccc1Oc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.58
KMT2A Q03164 3/20 0.57
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
MEN1 O00255 2/20 0.51
CARM1 Q86X55 1/20 0.50
PRMT6 Q96LA8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL2865800 0.88 KMT2A (0.56) KMT2AALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL6676537 0.87 KMT2A (0.71) KMT2AALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL2846389 0.85 KMT2A (0.54) KMT2AALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL6673419 0.82 BCHE (0.61) KMT2AALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL11063684 0.79 TTR (0.66) TTRKMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL27446847 0.79 HPGD (0.66) ALDH1A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL3427560 0.78 GAA (0.60) KMT2AALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL29828592 0.77 PTPN7 (0.58) KMT2A
SCHEMBL2846850 0.77 PTPN7 (0.58) KMT2A
SCHEMBL8429041 0.77 TTR (0.71) TTRKMT2AALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2099316-B1 FLAVOUR MODULATING DERIVATIVE OF A CARBOXYLIC ACID AND A PURINE, PYRIMIDINE, NUCLEOSIDE OR NUCLEOTIDE GIVAUDAN SA (CH) 2017-06-21 EP disclosed
US-20130028846-A1 Flavour Modulating Derivative of a Carboxylic Acid and a Purine, Pyrimidine, Nucleoside, or Nucleotide GIVAUDAN NEDERLAND SERVICES B.V. (NL) 2013-01-31 US disclosed
US-8293215-B2 Flavour modulating derivative of a carboxylic acid and a purine, pyrimidine, nucleoside, or nucleotide GIVAUDAN NEDERLAND SERVICES B.V. (NL) 2012-10-23 US disclosed
US-20100129515-A1 FLAVOUR MODULATING SUBSTANCES QUEST INTERNATIONAL SERVICES B.V. (NL) 2010-05-27 US disclosed
US-20100074850-A1 Flavour Modulating Derivative of a Carboxylic Acid and a Purine, Pyrimidine, Nucleoside, or Nucleotide GIVAUDAN NEDERLAND SERVICES B.V. (NL) 2010-03-25 US disclosed
EP-2099316-A1 FLAVOUR MODULATING DERIVATIVE OF A CARBOXYLIC ACID AND A PURINE, PYRIMIDINE, NUCLEOSIDE OR NUCLEOTIDE Givaudan Nederland Services B.V. (NL) 2009-09-16 EP disclosed
WO-2008072963-A1 FLAVOUR MODULATING DERIVATIVE OF A CARBOXYLIC ACID AND A PURINE, PYRIMIDINE, NUCLEOSIDE OR NUCLEOTIDE GIVAUDAN NEDERLAND SERVICES B.V. (NL) 2008-06-19 WO disclosed
EP-1915063-A2 N-VANILLYL UREA DERIVATIVES AS FLAVOUR MODULATING SUBSTANCES Quest International Services B.V. (NL) 2008-04-30 EP disclosed
WO-2007013811-A2 N-VANILLYL UREA DERIVATIVES AS FLAVOUR MODULATING SUBSTANCES QUEST INTERNATIONAL SERVICES B.V. (NL) 2007-02-01 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 (2 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-20100074850-A1 Flavour Modulating Derivative of a Carboxylic Acid and a Purine, Pyrimidine, Nucleoside, or Nucleotide NUDT1, GART, UMPS TTR 1526/4885KMT2A 3853/4885ALDH1A1 183/4885
US-20130028846-A1 Flavour Modulating Derivative of a Carboxylic Acid and a Purine, Pyrimidine, Nucleoside, or Nucleotide NUDT1, GART, UMPS TTR 1482/4885KMT2A 3846/4885ALDH1A1 211/4885

“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.