SCHEMBL659104

SCHEMBL659104

CC(C)(C)OC(=O)NCC#CCO

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
PTPN11 Q06124 1/20 0.48
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
CTSK P43235 6/20 0.40
CTSS P25774 5/20 0.40
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
EPHX1 P07099 1/20 0.39
CA7 P43166 1/20 0.38
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL13306434 0.84 TDP1 (0.53) TDP1PTPN11MEN1GAAKMT2A
SCHEMBL14404775 0.83 CTSK (0.51) TDP1PTPN11MEN1GAAKMT2A
SCHEMBL14085304 0.83 PTPN11 (0.48) TDP1PTPN11MEN1GAAKMT2A
SCHEMBL14952767 0.82 TDP1 (0.60) TDP1MEN1GAAKMT2AMAOA
SCHEMBL12378924 0.82 TDP1 (0.55) TDP1MEN1GAAKMT2AMAOA
SCHEMBL24199859 0.82 PTPN11 (0.47) TDP1PTPN11MEN1GAAKMT2A
SCHEMBL2143910 0.82 PTPN11 (0.47) TDP1PTPN11MEN1GAAKMT2A
SCHEMBL5057593 0.82 PTPN11 (0.47) TDP1PTPN11MEN1GAAKMT2A
SCHEMBL13306431 0.82 PTPN11 (0.47) TDP1PTPN11MEN1GAAKMT2A
SCHEMBL10223350 0.82 PTPN11 (0.47) TDP1PTPN11MEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4731219-A2 COMPOUNDS AND METHODS OF USE THEREOF FOR ASSESSING TARGET ENGAGEMENT FOR DNA POLYMERASE THETA Promega Corporation (US) 2026-04-29 EP disclosed
EP-4161931-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2026-02-18 EP disclosed
WO-2025085848-A1 ANTIBACTERIAL COMPOUNDS ARREPATH, INC. (US) 2025-04-24 WO disclosed
WO-2025054132-A1 ANTIBACTERIAL COMPOUNDS ARREPATH, INC. (US) 2025-03-13 WO disclosed
US-20250003974-A1 COMPOUNDS AND METHODS OF USE THEREOF FOR ASSESSING TARGET ENGAGEMENT FOR DNA POLYMERASE THETA PROMEGA CORPORATION 2025-01-02 US disclosed
WO-2024263837-A2 COMPOUNDS AND METHODS OF USE THEREOF FOR ASSESSING TARGET ENGAGEMENT FOR DNA POLYMERASE THETA PROMEGA CORPORATION (US) 2024-12-26 WO disclosed
US-20230141600-A1 IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-05-11 US disclosed
US-20230141600-A1 IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-05-11 US disclosed
US-20230141600-A1 IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-05-11 US disclosed
EP-3898630-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-05-10 EP 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-8008440-B2 Combinatorial synthesis of libraries of macrocyclic compounds useful in drug discovery TRANZYME PHARMA INC. (CA) 2011-08-30 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
EP-1218403-A2 COMBINATORIAL SYNTHESIS OF LIBRARIES OF MACROCYCLIC COMPOUNDS USEFUL IN DRUG DISCOVERY Neokimia, Inc. (CA) 2002-07-03 EP disclosed
WO-2001025257-A2 COMBINATORIAL SYNTHESIS OF LIBRARIES OF MACROCYCLIC COMPOUNDS USEFUL IN DRUG DISCOVERY NEOKIMIA, INC. (CA) 2001-04-12 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-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 3101/4885PTPN11 2655/4885MEN1 1302/4885
US-20120046441-A1 Combinatorial Synthesis of Libraries of Macrocyclic Compounds Useful in Drug Discovery COASY, SCO2, CCNO TDP1 3682/4885PTPN11 1827/4885MEN1 3174/4885
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 3272/4885PTPN11 2803/4885MEN1 1329/4885
US-20230141600-A1 IMIDAZOPYRAZINE DERIVATIVES IKZF3, RRP15, IK TDP1 4168/4885PTPN11 397/4885MEN1 1710/4885
US-20250003974-A1 COMPOUNDS AND METHODS OF USE THEREOF FOR ASSESSING TARGET ENGAGEMENT FOR DNA POLYMERASE THETA POLQ, POLB, POLM TDP1 45/4885PTPN11 4843/4885MEN1 4735/4885

“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.