SCHEMBL5191992

SCHEMBL5191992

COCCOC[C@H](NC(=O)OCc1ccccc1)C(=O)OC

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KYNU Q16719 1/20 0.60
ALDH1A1 P00352 1/20 0.55
ALOX15 P16050 1/20 0.55
CTSK P43235 10/20 0.54
TACR1 P25103 1/20 0.51
CTSS P25774 4/20 0.51
CTSL P07711 3/20 0.51
CTSB P07858 2/20 0.51
CAPN1 P07384 1/20 0.49
CASP1 P29466 1/20 0.49
TRPM8 Q7Z2W7 1/20 0.49

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
SCHEMBL28162782 1.00 KYNU (0.60) KYNUALDH1A1ALOX15CTSKTACR1
SCHEMBL21837385 0.94 KYNU (0.58) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL21837386 0.94 KYNU (0.58) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL527104 0.91 CTSK (0.64) KYNUALDH1A1ALOX15CTSKTACR1
SCHEMBL4387860 0.91 CTSK (0.64) KYNUALDH1A1ALOX15CTSKTACR1
SCHEMBL527103 0.91 CTSK (0.64) KYNUALDH1A1ALOX15CTSKTACR1
SCHEMBL1832552 0.90 KYNU (0.57) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL1837491 0.90 KYNU (0.57) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL16351361 0.89 KYNU (0.62) KYNUALDH1A1ALOX15CTSKTACR1
SCHEMBL31604948 0.89 KYNU (0.56) KYNUALDH1A1ALOX15CTSKCTSS

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 28 patents — showing the first 20. 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-9839641-B2 Compounds and methods for treating bacterial infections ENTASIS THERAPEUTICS LIMITED (GB) 2017-12-12 US disclosed
US-9839641-B2 Compounds and methods for treating bacterial infections ENTASIS THERAPEUTICS LIMITED (GB) 2017-12-12 US disclosed
CN-105229012-B Compounds and methods for for treating bacterium infection 恩塔西斯治疗有限公司 2017-07-18 CN disclosed
US-20170128458-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS ENTASIS THERAPEUTICS INC. 2017-05-11 US disclosed
US-20170128458-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS ENTASIS THERAPEUTICS INC. 2017-05-11 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-20160130281-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS ENTASIS THERAPEUTICS INC. 2016-05-12 US disclosed
US-8889671-B2 Compounds and methods for treating bacterial infections ASTRAZENECA AB (SE) 2014-11-18 US disclosed
US-8889671-B2 Compounds and methods for treating bacterial infections ASTRAZENECA AB (SE) 2014-11-18 US disclosed
US-8889671-B2 Compounds and methods for treating bacterial infections ASTRAZENECA AB (SE) 2014-11-18 US disclosed
WO-2014114929-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2014-07-31 WO disclosed
US-20140206677-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2014-07-24 US disclosed
US-20140206677-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2014-07-24 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 (4 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 KYNU 3399/4885ALDH1A1 597/4885ALOX15 454/4885
US-20070249670-A1 Glycogen Phosphorylase Inhibitor Compounds and Pharmaceutical Compositions Thereof PYGM, PYGL, GYS1 KYNU 4372/4885ALDH1A1 2212/4885ALOX15 2047/4885
US-20160130281-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS NISCH, ELANE, ALPI KYNU 3399/4885ALDH1A1 597/4885ALOX15 454/4885
US-20170128458-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS NISCH, ELANE, ALPI KYNU 3399/4885ALDH1A1 597/4885ALOX15 454/4885

“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.