SCHEMBL5191996

SCHEMBL5191996

COCCOCC(C(=O)O)N(C)C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.47
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
ALDH1A1 P00352 4/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
FOLH1 Q04609 2/20 0.40
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL21837387 0.92 ITGB3 (0.47) ABCB1ITGB3ITGA2BALDH1A1CTSL
SCHEMBL21837512 0.92 ITGB3 (0.47) ABCB1ITGB3ITGA2BALDH1A1CTSL
SCHEMBL14842127 0.91 ABCB1 (0.52) ABCB1ITGB3ITGA2BALDH1A1CTSL
SCHEMBL25185926 0.86 CTSK (0.47) ABCB1ITGB3ITGA2BALDH1A1CTSL
SCHEMBL22092025 0.86 ITGB3 (0.49) ABCB1ITGB3ITGA2BALDH1A1CTSL
SCHEMBL5194032 0.86 ITGB3 (0.52) ABCB1ITGB3ITGA2BALDH1A1CTSL
SCHEMBL25178768 0.86 ABCB1 (0.50) ABCB1ITGB3ITGA2BALDH1A1CTSL
SCHEMBL5192318 0.86 ABCB1 (0.47) ABCB1ITGB3ITGA2BALDH1A1CTSL
SCHEMBL17669880 0.85 ABCB1 (0.49) ABCB1ITGB3ITGA2BALDH1A1CTSL
SCHEMBL22091943 0.83 ITGB3 (0.43) ABCB1ITGB3ITGA2BALDH1A1CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9839641-B2 Compounds and methods for treating bacterial infections ENTASIS THERAPEUTICS LIMITED (GB) 2017-12-12 US disclosed
US-20170128458-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS ENTASIS THERAPEUTICS INC. 2017-05-11 US disclosed
US-9540394-B2 Compounds and methods for treating bacterial infections ENTASIS THERAPEUTICS LIMITED (GB) 2017-01-10 US disclosed
US-20160130281-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS ENTASIS THERAPEUTICS INC. 2016-05-12 US disclosed
US-9187495-B2 Compounds and methods for treating bacterial infections ENTASIS THERAPEUTICS LIMITED (GB) 2015-11-17 US disclosed
US-20150203513-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2015-07-23 US disclosed
US-8889671-B2 Compounds and methods for treating bacterial infections ASTRAZENECA AB (SE) 2014-11-18 US disclosed
US-20140206677-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2014-07-24 US disclosed
US-20070249670-A1 Glycogen Phosphorylase Inhibitor Compounds and Pharmaceutical Compositions Thereof SMITHKLINE BEECHAM CORPORATION (US) 2007-10-25 US disclosed
EP-1812383-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF Smithkline Beecham Corporation (US) 2007-08-01 EP disclosed
WO-2006052722-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2006-05-18 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 (5 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-20140206677-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS NISCH, ELANE, ALPI ABCB1 251/4885ITGB3 1875/4885ITGA2B 2107/4885
US-20070249670-A1 Glycogen Phosphorylase Inhibitor Compounds and Pharmaceutical Compositions Thereof PYGM, PYGL, GYS1 ABCB1 1072/4885ITGB3 1622/4885ITGA2B 2752/4885
US-20160130281-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS NISCH, ELANE, ALPI ABCB1 251/4885ITGB3 1875/4885ITGA2B 2107/4885
US-20150203513-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS NISCH, ELANE, ALPI ABCB1 251/4885ITGB3 1875/4885ITGA2B 2107/4885
US-20170128458-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS NISCH, ELANE, ALPI ABCB1 251/4885ITGB3 1875/4885ITGA2B 2107/4885

“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.