SCHEMBL985081

SCHEMBL985081

CCOC(=O)c1cc(OCCN2CCOCC2)cc(-c2ccccc2)n1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.56
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 2/20 0.48
ACHE P22303 1/20 0.48
CASP7 P55210 1/20 0.48
CASP6 P55212 1/20 0.48
P2RY12 Q9H244 4/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL2909201 0.88 P2RY12 (0.49) KDM4EALDH1A1P2RY12
SCHEMBL985553 0.88 NPC1 (0.56) NPC1RAB9AKDM4EALDH1A1ACHE
SCHEMBL983177 0.83 P2RY12 (0.51) P2RY12
SCHEMBL981734 0.80 MAPT (0.48) NPC1RAB9AKDM4EALDH1A1P2RY12
SCHEMBL5670325 0.80 ROCK1 (0.53) NPC1RAB9AKDM4EALDH1A1ACHE
SCHEMBL2906146 0.75 ALDH1A1 (0.52) KDM4EALDH1A1P2RY12
SCHEMBL1417060 0.75 L3MBTL1 (0.66) PPARGNPC1KDM4EALDH1A1TP53
SCHEMBL12814126 0.74 KDM4E (0.47) KDM4EALDH1A1CASP7CASP6TP53
SCHEMBL4441360 0.74 SMN1; SMN2 (0.73) KDM4EALDH1A1
SCHEMBL3572873 0.74 PPARG (0.79) PPARGNPC1RAB9A

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 PPARG 118/4885NPC1 1980/4885RAB9A 1763/4885

“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.