SCHEMBL2482853

SCHEMBL2482853

CC(C)(C)OC(=O)c1nc(-c2ccccc2)sc1CBr

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.57
HPGDS O60760 1/20 0.46
PTGDR2 Q9Y5Y4 5/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
TRPM8 Q7Z2W7 3/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CDC7 O00311 1/20 0.42
DBF4 Q9UBU7 1/20 0.42
GRM6 O15303 1/20 0.41
ALOX5 P09917 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
SCHEMBL2887195 0.83 L3MBTL1 (0.62) L3MBTL1PTGDR2KDM4ETRPM8ALDH1A1
SCHEMBL2481891 0.81 L3MBTL1 (0.49) L3MBTL1HPGDSKDM4ETRPM8ALDH1A1
SCHEMBL2485550 0.81 L3MBTL1 (0.51) L3MBTL1HPGDSPTGDR2KDM4EPOLB
SCHEMBL12030404 0.81 L3MBTL1 (0.55) L3MBTL1PTGDR2KDM4EPOLBTRPM8
SCHEMBL13345951 0.79 L3MBTL1 (0.57) L3MBTL1TRPM8ALDH1A1CDC7DBF4
SCHEMBL27931296 0.73 L3MBTL1 (0.60) L3MBTL1TRPM8ALDH1A1LMNACDC7
SCHEMBL16312760 0.73 SMN1; SMN2 (0.66) L3MBTL1KDM4ETRPM8ALDH1A1LMNA
SCHEMBL2427248 0.72 GRM6 (0.47) L3MBTL1HPGDSKDM4EPOLBTRPM8
SCHEMBL5197191 0.72 CDC7 (0.52) L3MBTL1HPGDSTRPM8ALDH1A1CDC7
SCHEMBL12049697 0.71 CDC7 (0.64) L3MBTL1KDM4ETRPM8ALDH1A1CDC7

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 10 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
EP-2376502-B1 THIAZOLOPYRIDINE SIRTUIN MODULATING COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-06-17 EP 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-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 L3MBTL1 4230/4885HPGDS 1023/4885PTGDR2 2563/4885
US-20110306609-A1 THIAZOLOPYRIDINE SIRTUIN MODULATING COMPOUNDS SIRT1, SIRT3, SIRT2 L3MBTL1 4230/4885HPGDS 1023/4885PTGDR2 2563/4885

“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.