SCHEMBL2486907

SCHEMBL2486907

CC(=O)C(NC(=O)c1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 7/20 0.49
CTSG P08311 7/20 0.49
CTRB1 P17538 7/20 0.49
CMA1 P23946 7/20 0.49
AAK1 Q2M2I8 1/20 0.45
GAA P10253 1/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 2/20 0.42
BTN3A1 O00481 1/20 0.41
CTSK P43235 1/20 0.41
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ATM Q13315 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
SCHEMBL2493020 0.84 GAA (0.55) PRSS1CTSGCTRB1CMA1GAA
SCHEMBL27453160 0.81 MAPT (0.54) PRSS1CTSGCTRB1CMA1GAA
SCHEMBL2486914 0.80 SMN1; SMN2 (0.51) PRSS1CTSGCTRB1CMA1GAA
SCHEMBL28458590 0.79 SLC1A2 (0.51) CTRB1GAAALDH1A1MEN1KMT2A
SCHEMBL24834183 0.77 MAPT (0.50) PRSS1CTSGCTRB1CMA1POLB
SCHEMBL3486823 0.77 NPC1 (0.45) PRSS1CTSGCTRB1CMA1POLB
SCHEMBL27556148 0.75 PRSS1 (0.56) PRSS1CTSGCTRB1CMA1AAK1
SCHEMBL2319522 0.75 PRSS1 (0.47) PRSS1CTSGCTRB1CMA1AAK1
SCHEMBL9459921 0.75 GAA (0.59) PRSS1CTSGCTRB1CMA1GAA
SCHEMBL9334912 0.75 DGAT1 (0.34) GAAMEN1KMT2ALMNACTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376502-B1 THIAZOLOPYRIDINE SIRTUIN MODULATING COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-06-17 EP disclosed
CN-102388054-B Thiazolopyridine sirtuin modulating compounds SIRTRIS PHARMACEUTICALS INC 2015-03-04 CN disclosed
US-8492401-B2 Thiazolopyridine sirtuin modulating compounds GLAXOSMITHKLINE LLC (US) 2013-07-23 US disclosed
US-8492401-B2 Thiazolopyridine sirtuin modulating compounds GLAXOSMITHKLINE LLC (US) 2013-07-23 US disclosed
US-20130085155-A1 THIAZOLOPYRIDINE SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS (US) 2013-04-04 US disclosed
US-20130085155-A1 THIAZOLOPYRIDINE SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS (US) 2013-04-04 US disclosed
US-8343997-B2 Thiazolopyridine sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2013-01-01 US disclosed
US-8343997-B2 Thiazolopyridine sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2013-01-01 US disclosed
CN-102388054-A Thiazolopyridine sirtuin modulating compounds SIRTRIS PHARMACEUTICALS INC 2012-03-21 CN disclosed
US-20110306609-A1 THIAZOLOPYRIDINE SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC., 2011-12-15 US disclosed
US-20110306609-A1 THIAZOLOPYRIDINE SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC., 2011-12-15 US disclosed
EP-2376502-A1 THIAZOLOPYRIDINE SIRTUIN MODULATING COMPOUNDS Sirtris Pharmaceuticals, Inc. (US) 2011-10-19 EP disclosed
WO-2010071853-A1 THIAZOLOPYRIDINE SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-06-24 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-20130085155-A1 THIAZOLOPYRIDINE SIRTUIN MODULATING COMPOUNDS SIRT1, SIRT3, SIRT2 PRSS1 1476/4885CTSG 1819/4885CTRB1 1930/4885
US-20110306609-A1 THIAZOLOPYRIDINE SIRTUIN MODULATING COMPOUNDS SIRT1, SIRT3, SIRT2 PRSS1 1476/4885CTSG 1819/4885CTRB1 1930/4885

“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.