SCHEMBL2483845

SCHEMBL2483845

CC(C)(C)OC(=O)N1CCN(Cc2sc(-c3ccccc3)nc2C(=O)O)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 3/20 0.52
CKS1B P61024 2/20 0.47
SKP1 P63208 2/20 0.47
SKP2 Q13309 2/20 0.47
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
ACHE P22303 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TERT O14746 1/20 0.43
TP53 P04637 2/20 0.42
THRB P10828 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.41
GBA1 P04062 1/20 0.41
VEGFA P15692 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
KIT P10721 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
SCHEMBL2484300 0.89 ACKR3 (0.49) ACKR3CKS1BSKP1SKP2HRH3
SCHEMBL2485550 0.82 L3MBTL1 (0.51) ACKR3HRH3L3MBTL1
SCHEMBL2486042 0.81 L3MBTL1 (0.47) HRH3ACHEL3MBTL1
SCHEMBL22221684 0.80 ACKR3 (0.71) ACKR3CKS1BSKP1SKP2CHRM2
SCHEMBL12030413 0.80 L3MBTL1 (0.48) HRH3L3MBTL1
Hydrochloric Acid SCHEMBL2486541 0.80 L3MBTL1 (0.46) HRH3ACHEL3MBTL1
SCHEMBL14827524 0.80 HRH3 (0.47) HRH3ACHEL3MBTL1
SCHEMBL12030410 0.79 TACR2 (0.46) CHRM1HRH3L3MBTL1KMT2A
Hydrochloric Acid SCHEMBL2483842 0.79 L3MBTL1 (0.47) HRH3L3MBTL1
Hydrochloric Acid SCHEMBL2484779 0.78 TACR2 (0.45) CHRM1HRH3L3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 ACKR3 4187/4885CKS1B 844/4885SKP1 554/4885
US-20110306609-A1 THIAZOLOPYRIDINE SIRTUIN MODULATING COMPOUNDS SIRT1, SIRT3, SIRT2 ACKR3 4187/4885CKS1B 844/4885SKP1 554/4885

“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.