SCHEMBL5262344

SCHEMBL5262344

COC(=O)CCc1cccc(C(C)C(=O)OC(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
APP P05067 1/20 0.40
PTPN1 P18031 2/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALOX5 P09917 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37
BRD4 O60885 1/20 0.36

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
SCHEMBL5914135 1.00 SIRT2 (0.42) SIRT2PTGS1PTGS2APPPTPN1
SCHEMBL5914075 0.87 FFAR1 (0.45) PTGS1PTGS2APP
SCHEMBL5914069 0.87 FFAR1 (0.45) PTGS1PTGS2APP
SCHEMBL5262346 0.81 SIRT2 (0.49) SIRT2PTPN1ADRB2ADRB1TDP1
SCHEMBL18025550 0.81 SIRT2 (0.49) SIRT2PTPN1ADRB2ADRB1F2
SCHEMBL5216236 0.80 APP (0.44) PTGS1PTGS2APPKMT2AMEN1
SCHEMBL27574181 0.80 SIRT2 (0.42) SIRT2F2F10
Methyl 3-Phenylpropanoate SCHEMBL28962931 0.76 TDP1 (0.54) PTGS1PTGS2KMT2AMEN1TDP1
SCHEMBL12028309 0.75 SIRT2 (0.44) SIRT2PTPN1ADRB2ADRB1F2
SCHEMBL29214272 0.75 PTGS1 (0.56) PTGS1PTGS2APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1794135-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-06-13 EP disclosed
WO-2006037117-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-04-06 WO disclosed
US-20060069110-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2006-03-30 US 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-20060069110-A1 Substituted heterocyclic compounds and methods of use MAPT, MYLK2, IAPP SIRT2 1046/4885PTGS1 1446/4885PTGS2 921/4885

“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.