SCHEMBL2485550

SCHEMBL2485550

CC(C)(C)OC(=O)c1nc(-c2ccccc2)sc1CN1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
HRH3 Q9Y5N1 5/20 0.44
TRPV4 Q9HBA0 1/20 0.41
KDM1A O60341 1/20 0.40
ACKR3 P25106 2/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
HPGDS O60760 1/20 0.39

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
SCHEMBL12030405 0.83 L3MBTL1 (0.48) L3MBTL1HRH3TRPV4PTGDR2KDM4E
SCHEMBL2486042 0.83 L3MBTL1 (0.47) L3MBTL1HRH3TRPV4PTGDR2KDM4E
SCHEMBL14827525 0.82 HRH3 (0.48) L3MBTL1HRH3TRPV4PTGDR2KDM4E
Hydrochloric Acid SCHEMBL2486541 0.82 L3MBTL1 (0.46) L3MBTL1HRH3TRPV4PTGDR2KDM4E
SCHEMBL14827524 0.82 HRH3 (0.47) L3MBTL1HRH3TRPV4PTGDR2KDM4E
SCHEMBL2484300 0.82 ACKR3 (0.49) L3MBTL1HRH3ACKR3TRPM8KDM4E
SCHEMBL2483845 0.82 ACKR3 (0.52) L3MBTL1HRH3ACKR3
SCHEMBL13345606 0.82 L3MBTL1 (0.51) L3MBTL1HRH3TRPM8
SCHEMBL2482853 0.81 L3MBTL1 (0.57) L3MBTL1PTGDR2TRPM8KDM4EPOLB
SCHEMBL2481891 0.76 L3MBTL1 (0.49) L3MBTL1HRH3TRPM8KDM4EHPGDS

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 4230/4885HRH3 4157/4885TRPV4 2355/4885
US-20110306609-A1 THIAZOLOPYRIDINE SIRTUIN MODULATING COMPOUNDS SIRT1, SIRT3, SIRT2 L3MBTL1 4230/4885HRH3 4157/4885TRPV4 2355/4885

“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.