SCHEMBL986309

SCHEMBL986309

CC(C)(C)OC(=O)N1CC(Oc2cc(C(=O)O)nc(-c3ccccc3)c2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 6/20 0.47
SCD O00767 1/20 0.43
P2RY12 Q9H244 6/20 0.42
CACNB4 O00305 1/20 0.42
CACNA1A O00555 1/20 0.42
CACNA1G O43497 1/20 0.42
CACNG3 O60359 1/20 0.42
CACNA1F O60840 1/20 0.42
CACNA1H O95180 1/20 0.42
CACNB3 P54284 1/20 0.42
CACNA2D1 P54289 1/20 0.42
CACNG7 P62955 1/20 0.42
CACNA1B Q00975 1/20 0.42
CACNA1D Q01668 1/20 0.42
CACNB1 Q02641 1/20 0.42
CACNG1 Q06432 1/20 0.42
CACNB2 Q08289 1/20 0.42
CACNA1S Q13698 1/20 0.42
CACNA1C Q13936 1/20 0.42
CACNA1E Q15878 1/20 0.42

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
SCHEMBL24793014 0.79 USP30 (0.46) USP30CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL34476106 0.79 USP30 (0.46) USP30CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL22278158 0.79 USP30 (0.67) USP30SCDCACNB4CACNA1ACACNA1G
SCHEMBL984214 0.77 ACKR3 (0.49) P2RY12CKS1BSKP1SKP2
SCHEMBL317418 0.77 MCL1 (0.51) P2RY12MCL1
SCHEMBL2907018 0.76 MCL1 (0.50) P2RY12MCL1
SCHEMBL23830839 0.76 USP30 (0.52) USP30CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL1698892 0.75 GPR119 (0.48) USP30GPR119
SCHEMBL28911357 0.74 USP30 (0.45) USP30CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL15376733 0.73 USP30 (0.54) USP30GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009381-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRTIS PHARMACEUTICALS, INC. (US) 2011-01-13 US disclosed
US-20110009381-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRTIS PHARMACEUTICALS, INC. (US) 2011-01-13 US disclosed
US-20110009381-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRTIS PHARMACEUTICALS, INC. (US) 2011-01-13 US disclosed
EP-2217606-A1 SOLUBILIZED THIAZOLOPYRIDINES Sirtris Pharmaceuticals, Inc. (US) 2010-08-18 EP disclosed
WO-2009061453-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRTRIS PHARMACEUTICALS, INC. (US) 2009-05-14 WO disclosed
WO-2009061453-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRTRIS PHARMACEUTICALS, INC. (US) 2009-05-14 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 (1 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-20110009381-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRT3, SIRT1, SIRT2 USP30 3080/4885SCD 858/4885P2RY12 1151/4885

“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.