SCHEMBL2396853

SCHEMBL2396853

CC(C)(C)OC(=O)NC#CCCC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
CTSK P43235 9/20 0.36
CTSS P25774 6/20 0.35
TDP1 Q9NUW8 1/20 0.34
EPHX2 P34913 1/20 0.34
PTPN11 Q06124 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA7 P43166 2/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CA12 O43570 2/20 0.32
CA14 Q9ULX7 2/20 0.32
APLNR P35414 1/20 0.32

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
SCHEMBL6623918 0.82 MEN1 (0.38) MEN1GAAKMT2ACTSKCTSS
SCHEMBL30464727 0.82 CTSK (0.41) MEN1GAAKMT2ACTSKCTSS
SCHEMBL939491 0.81 PTPN11 (0.47) MEN1GAAKMT2ACTSKCTSS
SCHEMBL19787902 0.81 CTSK (0.36) MEN1GAAKMT2ACTSKCTSS
SCHEMBL1207296 0.79 CTSK (0.36) MEN1GAAKMT2ACTSKCTSS
SCHEMBL30975132 0.78 CTSK (0.39) MEN1GAAKMT2ACTSKCTSS
SCHEMBL5728803 0.77 CTSK (0.38) MEN1GAAKMT2ACTSKCTSS
SCHEMBL6692466 0.77 PTPN11 (0.46) MEN1GAAKMT2ACTSKCTSS
SCHEMBL18712103 0.77 CTSK (0.38) MEN1GAAKMT2ACTSKCTSS
SCHEMBL28609057 0.76 EPHX2 (0.35) MEN1GAAKMT2ACTSKCTSS

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
WO-2017081590-A1 PROCESS FOR THE PREPARATION OF OMARIGLIPTIN SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2017-05-18 WO disclosed
EP-2173724-B1 QUINAZOLINONE COMPOUNDS AND METHODS OF USE THEREOF ARQULE INC (US) 2012-12-05 EP disclosed
US-8232285-B2 Quinazolinone compounds and methods of use thereof ARQULE, INC. (US) 2012-07-31 US disclosed
US-20110217300-A1 Quinazolinone Compounds and Methods of Use Thereof ARQULE, INC. (US) 2011-09-08 US disclosed
EP-2173724-A2 QUINAZOLINONE COMPOUNDS AND METHODS OF USE THEREOF ArQule, Inc. (US) 2010-04-14 EP disclosed
US-20090130097-A1 Quinazolinone Compounds and Methods of Use Thereof ARQULE, INC. (US) 2009-05-21 US disclosed
WO-2009002808-A2 QUINAZOLINONE COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. (US) 2008-12-31 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-20110217300-A1 Quinazolinone Compounds and Methods of Use Thereof NQO2, NQO1, MKI67 MEN1 1270/4885GAA 608/4885KMT2A 2190/4885
US-20090130097-A1 Quinazolinone Compounds and Methods of Use Thereof NQO2, NQO1, MKI67 MEN1 1270/4885GAA 608/4885KMT2A 2190/4885

“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.