SCHEMBL5675016

SCHEMBL5675016

COCCOCCNC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
CA12 O43570 4/20 0.45
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
CA9 Q16790 4/20 0.45
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
SUCNR1 Q9BXA5 2/20 0.43
IDO1 P14902 1/20 0.43
EPHX1 P07099 1/20 0.42
BCHE P06276 1/20 0.41
CNR2 P34972 1/20 0.41
ADRB2 P07550 1/20 0.41
HTR1A P08908 1/20 0.41

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
SCHEMBL13699507 1.00 TDP1 (0.50) TDP1MEN1KMT2AGAACA12
SCHEMBL25985788 1.00 TDP1 (0.50) TDP1MEN1KMT2AGAACA12
SCHEMBL21106180 1.00 TDP1 (0.50) TDP1MEN1KMT2AGAACA12
SCHEMBL25985952 1.00 TDP1 (0.50) TDP1MEN1KMT2AGAACA12
SCHEMBL21534023 1.00 TDP1 (0.50) TDP1MEN1KMT2AGAACA12
SCHEMBL12885084 0.93 TDP1 (0.56) TDP1MEN1KMT2AGAACA12
SCHEMBL22276648 0.93 TDP1 (0.56) TDP1MEN1KMT2AGAACA12
SCHEMBL22276641 0.93 TDP1 (0.56) TDP1MEN1KMT2AGAACA12
SCHEMBL31021607 0.92 TDP1 (0.50) TDP1MEN1KMT2AGAACA12
SCHEMBL13055393 0.91 TDP1 (0.58) TDP1MEN1KMT2AGAACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11723980-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-08-15 US disclosed
US-20210369853-A1 TARGETED PROTEASE DEGRADATION PLATFORM EUBULUS BIOTHERAPEUTICS INC. (CN) 2021-12-02 US disclosed
US-10912841-B2 Antibody-drug-conjugate and its use for the treatment of cancer PIERRE FABRE MEDICAMENT (FR) 2021-02-09 US disclosed
WO-2019183245-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2019-09-26 WO disclosed
US-20180222858-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS PIERRE FABRE MEDICAMENT (FR) 2018-08-09 US disclosed
CN-102596954-B JAK2 inhibitor and be used for the treatment of the purposes of myeloproliferative disease and cancer BRISTOL-MYERS SQUIBB CO. (US) 2015-12-16 CN disclosed
WO-2015061468-A1 POLYMER NANOPARTICLES CONTAINING MULTIPLE AGENTS AND METHODS THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2015-04-30 WO disclosed
US-20130252957-A1 PYRIDINONE ANTAGONISTS OF ALPHA-4 INTEGRINS ELAN PHARMACEUTICALS, INC. (US) 2013-09-26 US disclosed
US-8440109-B2 Fullerene derivative SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-14 US disclosed
US-8367836-B2 Pyridinone antagonists of alpha-4 integrins ELAN PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
CN-102596954-A JAK2 inhibitors and their use for the treatment of myeloproliferative diseases and cancer BRISTOL MYERS SQUIBB CO 2012-07-18 CN disclosed
US-20110009407-A1 PYRIDINONE ANTAGONISTS OF ALPHA-4 INTEGRINS ELAN PHARMACEUTICALS, INC. 2011-01-13 US disclosed
US-7037916-B2 Pyrimidine derivatives as IL-8 receptor antagonists PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2006-05-02 US disclosed
WO-2004062609-A2 PYRIMIDINE DERIVATIVES AS IL-8 RECEPTOR ANTAGONISTS PHARMACOPEIA, INC. (US) 2004-07-29 WO disclosed
US-20040087601-A1 Pyrimidine derivatives as IL-8 receptor antagonists PHARMACOPEIA, LLC 2004-05-06 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-20040087601-A1 Pyrimidine derivatives as IL-8 receptor antagonists CXCL8, IL1RN, IL18 TDP1 3064/4885MEN1 4787/4885KMT2A 3913/4885
US-20130252957-A1 PYRIDINONE ANTAGONISTS OF ALPHA-4 INTEGRINS ITGA4, ITGB4, ITGB5 TDP1 4140/4885MEN1 3731/4885KMT2A 2877/4885
US-10912841-B2 Antibody-drug-conjugate and its use for the treatment of cancer DDOST, DAD1, KRTCAP2 TDP1 2167/4885MEN1 1759/4885KMT2A 3496/4885
US-11723980-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 TDP1 236/4885MEN1 4055/4885KMT2A 445/4885
US-20180222858-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS NR1H4, HCAR3, VDR TDP1 4513/4885MEN1 2933/4885KMT2A 4115/4885
US-20110009407-A1 PYRIDINONE ANTAGONISTS OF ALPHA-4 INTEGRINS ITGA4, ITGB4, ITGB5 TDP1 4140/4885MEN1 3731/4885KMT2A 2877/4885
US-20210369853-A1 TARGETED PROTEASE DEGRADATION PLATFORM PSMB1, MDM2, XIAP TDP1 1341/4885MEN1 1074/4885KMT2A 1458/4885

“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.