SCHEMBL2396943

SCHEMBL2396943

CCCCOC(=O)C(C)NC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.50
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CTSS P25774 1/20 0.45
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 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
SCHEMBL14887467 1.00 CTSK (0.50) CTSKCA1CA2CA7CTSS
SCHEMBL14314073 0.95 CTSK (0.49) CTSKCA1CA2CA7CTSS
SCHEMBL25526249 0.94 CTSK (0.48) CTSKCA1CA2CA7CTSS
SCHEMBL9542339 0.94 CTSK (0.48) CTSKCA1CA2CA7CTSS
SCHEMBL25526261 0.94 CTSK (0.48) CTSKCA1CA2CA7CTSS
SCHEMBL28854991 0.94 CTSK (0.48) CTSKCA1CA2CA7CTSS
SCHEMBL30601914 0.94 CTSK (0.48) CTSKCA1CA2CA7CTSS
SCHEMBL25526146 0.94 CTSK (0.48) CTSKCA1CA2CA7CTSS
SCHEMBL30219212 0.94 CTSK (0.48) CTSKCA1CA2CA7CTSS
SCHEMBL26277055 0.94 CTSK (0.48) CTSKCA1CA2CA7CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115175735-A Antiviral compounds 吉利德科学公司 2022-10-11 CN disclosed
CN-115135383-A Antiviral compounds 吉利德科学公司 2022-09-30 CN disclosed
CN-115087659-A Antiviral compounds 吉利德科学公司 2022-09-20 CN disclosed
EP-2928504-B1 PROTEIN-POLYMER-DRUG CONJUGATES MERSANA THERAPEUTICS INC (US) 2019-02-20 EP 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 CTSK 553/4885CA1 2490/4885CA2 1688/4885
US-20090130097-A1 Quinazolinone Compounds and Methods of Use Thereof NQO2, NQO1, MKI67 CTSK 553/4885CA1 2490/4885CA2 1688/4885

“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.