SCHEMBL4697573

SCHEMBL4697573

NC(=O)C(=O)NCCCO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.43
CA1 P00915 5/20 0.39
CA2 P00918 5/20 0.39
CA12 O43570 3/20 0.39
CA9 Q16790 3/20 0.39
PTGS1 P23219 1/20 0.38
KCNH2 Q12809 1/20 0.38
HTT P42858 2/20 0.36
EPHX2 P34913 1/20 0.36
TGFBR1 P36897 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
POLB P06746 1/20 0.34
CDK1 P06493 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA13 Q8N1Q1 1/20 0.33

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
SCHEMBL28418917 0.93 GAA (0.46) GAAL3MBTL1CA1CA2CA12
SCHEMBL28412243 0.91 TDP1 (0.46) GAACA1CA2CA12CA9
SCHEMBL7713828 0.91 TDP1 (0.46) GAACA1CA2CA12CA9
SCHEMBL16295389 0.91 TDP1 (0.46) GAACA1CA2CA12CA9
SCHEMBL9765342 0.87 GAA (0.52) GAACA1CA2CA12CA9
SCHEMBL15201198 0.87 GAA (0.52) GAACA1CA2CA12CA9
SCHEMBL110028 0.84
SCHEMBL9489754 0.84 L3MBTL1 (0.53) L3MBTL1CA1CA2CA12CA9
SCHEMBL2746552 0.82 PTGS1 (0.42) GAAL3MBTL1CA1CA2CA12
SCHEMBL31264254 0.81 GAA (0.45) GAACA2CA9TGFBR1TDP1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103123672-A Target gene Rv0233 screened by antituberculous inhibitor and application UNIV HUAZHONG AGRICULTURAL 2013-05-29 CN claimed
CN-117619285-A Preparation method of thermochromic microcapsule and thermochromic ink 福建泰新泉科技有限公司 2024-03-01 CN disclosed
CN-111349233-B Biodegradable alternating aliphatic polyester amide and preparation method thereof 东华大学 2021-10-26 CN disclosed
CN-111349233-A Biodegradable alternating aliphatic polyester amide and preparation method thereof 东华大学 2020-06-30 CN disclosed
EP-3008517-A1 A LITHOGRAPHIC PRINTING PLATE PRECURSOR Agfa Graphics N.V. (BE) 2016-04-20 EP disclosed
EP-3008518-A1 A LITHOGRAPHIC PRINTING PLATE PRECURSOR Agfa Graphics NV (BE) 2016-04-20 EP disclosed
WO-2015086659-A1 A LITHOGRAPHIC PRINTING PLATE PRECURSOR AND MONOMER AGFA GRAPHICS NV (BE) 2015-06-18 WO disclosed
WO-2014198820-A1 A LITHOGRAPHIC PRINTING PLATE PRECURSOR AGFA GRAPHICS NV (BE) 2014-12-18 WO disclosed
WO-2014198823-A1 A LITHOGRAPHIC PRINTING PLATE PRECURSOR AGFA GRAPHICS NV (BE) 2014-12-18 WO disclosed
EP-1889845-A1 NOVEL PLEUROMUTILIN DERIVATIVES SmithKline Beecham P.L.C. (GB) 2008-02-20 EP disclosed
US-7160907-B2 Pleuromutilin derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2007-01-09 US disclosed
EP-1538150-A1 NOVEL PLEUROMUTILIN DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2005-06-08 EP disclosed
EP-1351959-B1 NOVEL PLEUROMUTILIN DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2005-06-01 EP disclosed
US-6900345-B2 Pleuromutilin derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2005-05-31 US disclosed
US-20050096357-A1 Novel pleuromutilin derivatives SMITHKLINE BEECHAM P.L.C. 2005-05-05 US disclosed
US-20040024059-A1 Novel pleuromutilin derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2004-02-05 US disclosed
EP-1351959-A1 NOVEL PLEUROMUTILIN DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2003-10-15 EP disclosed
WO-2002030929-A1 NOVEL PLEUROMUTILIN DERIVATIVES SMITHKLINE BEECHAM P.L.C. (GB) 2002-04-18 WO disclosed
EP-0009866-B1 PHENOLIC ESTERAMIDE ANTIOXIDANTS AND THEIR USE UNIROYAL, INC. (US) 1982-08-04 EP disclosed
EP-0009866-A1 Phenolic esteramide antioxidants and their use UNIROYAL, INC. (US) 1980-04-16 EP 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-20040024059-A1 Novel pleuromutilin derivatives PLEC, MLNR, FABP2 GAA 1204/4885L3MBTL1 3568/4885CA1 4247/4885
US-20050096357-A1 Novel pleuromutilin derivatives FABP2, PLEC, MLNR GAA 1541/4885L3MBTL1 3624/4885CA1 4412/4885

“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.