SCHEMBL590359

SCHEMBL590359

CC(C)(C)OC(=O)NCC/C=C/CO

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
CA12 O43570 5/20 0.42
CA1 P00915 5/20 0.42
CA2 P00918 5/20 0.42
CA9 Q16790 5/20 0.42
EPHX1 P07099 1/20 0.42
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GFER P55789 1/20 0.38
CTSK P43235 2/20 0.37
IDO1 P14902 2/20 0.37
MALT1 Q9UDY8 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
SCHEMBL590360 1.00 TDP1 (0.54) TDP1MEN1GAAKMT2AMAOA
SCHEMBL13306408 0.93 TDP1 (0.56) TDP1MEN1GAAKMT2AMAOA
SCHEMBL4773060 0.90 TDP1 (0.60) TDP1MEN1GAAKMT2AMAOA
SCHEMBL23795927 0.90 TDP1 (0.60) TDP1MEN1GAAKMT2AMAOA
SCHEMBL24197446 0.89 TDP1 (0.59) TDP1MEN1GAAKMT2AMAOA
SCHEMBL15505335 0.86 TDP1 (0.65) TDP1MEN1GAAKMT2AMAOA
SCHEMBL28536043 0.86 TDP1 (0.50) TDP1MEN1GAAKMT2AMAOA
SCHEMBL591128 0.84 TDP1 (0.49) TDP1MEN1GAAKMT2AMAOA
SCHEMBL591127 0.84 TDP1 (0.49) TDP1MEN1GAAKMT2AMAOA
SCHEMBL7515871 0.84 TDP1 (0.51) TDP1MEN1GAAKMT2AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026087635-A1 DIHYDRO BENZOXAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2026-04-30 WO disclosed
US-11866431-B2 Bicyclic compounds VIVACE THERAPEUTICS, INC. (US) 2024-01-09 US disclosed
US-20230061429-A1 BICYCLIC COMPOUNDS VIVACE THERAPEUTICS, INC. 2023-03-02 US disclosed
CN-113302175-A Bicyclic compounds 维瓦斯治疗公司 2021-08-24 CN disclosed
US-9409945-B2 Combinatorial synthesis of libraries of macrocyclic compounds useful in drug discovery OCERA THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
EP-2146987-B1 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-12-02 EP disclosed
US-20150315235-A1 Combinatorial Synthesis of Libraries of Macrocyclic Compounds Useful in Drug Discovery MALLINCKRODT ENTERPRISES HOLDINGS LLC (F/K/A MALLINCKRODT ENTERPRISES HOLDINGS, INC.) 2015-11-05 US disclosed
US-9018419-B2 Combinatorial synthesis of libraries of macrocyclic compounds useful in drug discovery OCERA THERAPEUTICS, INC. (US) 2015-04-28 US disclosed
US-9018419-B2 Combinatorial synthesis of libraries of macrocyclic compounds useful in drug discovery OCERA THERAPEUTICS, INC. (US) 2015-04-28 US disclosed
US-8188216-B2 Combinatorial synthesis of libraries of macrocyclic compounds useful in drug discovery TRANZYME PHARMA INC. (CA) 2012-05-29 US disclosed
US-20120046441-A1 Combinatorial Synthesis of Libraries of Macrocyclic Compounds Useful in Drug Discovery MNK 2011 LLC (F/K/A MALLINCKRODT INC.) 2012-02-23 US disclosed
US-20120046441-A1 Combinatorial Synthesis of Libraries of Macrocyclic Compounds Useful in Drug Discovery MNK 2011 LLC (F/K/A MALLINCKRODT INC.) 2012-02-23 US disclosed
US-8114867-B2 Oxazolidinone antibiotic derivatives ACTELION PHARMACEUTICALS LTD (CH) 2012-02-14 US disclosed
WO-2011162562-A2 [6+5] FUSED BICYCLES AS A THROMBIN ANTAGONIST, PROCESS FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE BICYCLES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2011-12-29 WO disclosed
US-8008440-B2 Combinatorial synthesis of libraries of macrocyclic compounds useful in drug discovery TRANZYME PHARMA INC. (CA) 2011-08-30 US disclosed
US-20100137290-A1 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-06-03 US disclosed
US-20070117154-A1 Cyclic lactams comprising three amino acids and a tether chain to control the overall shape of the macromolecule; beta-turn mimetics to explore conformationally restricted structures; proteolytic enzyme resistance (nonhydrolyzing); cell penetration; anticoagulants; anticarcinogenic agents MALLINCKRODT PHARMACEUTICALS IRELAND LIMITED (IE) 2007-05-24 US disclosed
US-7169899-B1 Cyclic lactams comprising three amino acids and a tether chain to control the overall shape of the macromolecule; beta-turn mimetics to explore conformationally restricted structures; proteolytic enzyme resistance (nonhydrolyzing); cell penetration; anticoagulants; anticarcinogenic agents TRANZYME PHARMA INC. (CA) 2007-01-30 US disclosed
EP-1218403-B1 COMBINATORIAL SYNTHESIS OF LIBRARIES OF MACROCYCLIC COMPOUNDS USEFUL IN DRUG DISCOVERY TRANZYME PHARMA INC (CA) 2006-11-29 EP disclosed
US-20050049234-A1 Cyclic lactams comprising three amino acids and a tether chain to control the overall shape of the macromolecule; beta-turn mimetics to explore conformationally restricted structures; proteolytic enzyme resistance (nonhydrolyzing); cell penetration; anticoagulants; anticarcinogenic agents NEOKIMIA INC. (CA) 2005-03-03 US 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 (7 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-11866431-B2 Bicyclic compounds YAP1, MYC, TEAD2 TDP1 2332/4885MEN1 3435/4885GAA 3868/4885
US-20100137290-A1 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES OXA1L, XDH, CCNY TDP1 3610/4885MEN1 1250/4885GAA 3645/4885
US-20050049234-A1 Cyclic lactams comprising three amino acids and a tether chain to control the overall shape of the macromolecule; beta-turn mimetics to explore conformationally restricted structures; proteolytic enzyme resistance (nonhydrolyzing); cell penetration; anticoagulants; anticarcinogenic agents F2, BCAT1, CTRL TDP1 3101/4885MEN1 1302/4885GAA 1278/4885
US-20120046441-A1 Combinatorial Synthesis of Libraries of Macrocyclic Compounds Useful in Drug Discovery COASY, SCO2, CCNO TDP1 3682/4885MEN1 3174/4885GAA 2925/4885
US-20070117154-A1 Cyclic lactams comprising three amino acids and a tether chain to control the overall shape of the macromolecule; beta-turn mimetics to explore conformationally restricted structures; proteolytic enzyme resistance (nonhydrolyzing); cell penetration; anticoagulants; anticarcinogenic agents F2, BCAT1, DAO TDP1 3272/4885MEN1 1329/4885GAA 1129/4885
US-20150315235-A1 Combinatorial Synthesis of Libraries of Macrocyclic Compounds Useful in Drug Discovery COASY, SCO2, CCNO TDP1 3682/4885MEN1 3174/4885GAA 2925/4885
US-20230061429-A1 BICYCLIC COMPOUNDS YAP1, MYC, TEAD2 TDP1 2332/4885MEN1 3435/4885GAA 3868/4885

“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.