SCHEMBL2936974

SCHEMBL2936974

CC(C)(C)OC(=O)N[C@@H]1COC(=O)C1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
BTK Q06187 1/20 0.50
NFKB1 P19838 4/20 0.47
NFKB2 Q00653 4/20 0.47
RELA Q04206 4/20 0.47
EPHX2 P34913 1/20 0.43
CTSK P43235 2/20 0.43
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM1A O60341 2/20 0.41
MAOB P27338 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
EPHX1 P07099 1/20 0.38

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
SCHEMBL3307631 1.00 GAA (0.53) GAABTKNFKB1NFKB2RELA
SCHEMBL9846492 1.00 GAA (0.53) GAABTKNFKB1NFKB2RELA
SCHEMBL14249955 0.85 GAA (0.49) GAABTKNFKB1NFKB2RELA
SCHEMBL14249956 0.85 GAA (0.49) GAABTKNFKB1NFKB2RELA
SCHEMBL15502088 0.84 GAA (0.54) GAABTKNFKB1NFKB2RELA
SCHEMBL14318900 0.84 GAA (0.45) GAABTKNFKB1NFKB2RELA
SCHEMBL20464506 0.81 ALDH1A1 (0.39) GAAKMT2A
SCHEMBL8225701 0.80 GAA (0.54) GAABTKNFKB1NFKB2RELA
SCHEMBL18570971 0.80 GAA (0.54) GAABTKNFKB1NFKB2RELA
SCHEMBL4949895 0.79 GAA (0.55) GAABTKNFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12415789-B2 Macrocycles comprising a 4-amido-2,4-pentadienoate moiety for the treatment of hypoxic cancers AARHUS UNIVERSITET (DK) 2025-09-16 US disclosed
US-20230020952-A1 MACROCYCLES COMPRISING A 4-AMIDO-2,4-PENTADIENOATE MOIETY FOR THE TREATMENT OF HYPOXIC CANCERS AARHUS UNIVERSITET (DK) 2023-01-19 US disclosed
EP-4069217-A1 MACROCYCLES COMPRISING A 4-AMIDO-2,4-PENTADIENOATE MOIETY FOR THE TREATMENT OF HYPOXIC CANCERS Aarhus Universitet (DK) 2022-10-12 EP disclosed
US-9751887-B2 Imidazo[1,2-b]pyridazine derivatives as kinase inhibitors DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-09-05 US disclosed
US-9751887-B2 Imidazo[1,2-b]pyridazine derivatives as kinase inhibitors DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-09-05 US disclosed
EP-2857404-B1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AS KINASE INHIBITORS DAIICHI SANKYO CO LTD (JP) 2017-08-23 EP disclosed
US-9562009-B2 Process to manufacture N-[(3S)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxo-pyrrolidin-3-yl]acetamide HOFFMANN-LA ROCHE INC. (US) 2017-02-07 US disclosed
US-20160237032-A1 PROCESS TO MANUFACTURE N-[(3S)-1-[4-[(3-FLUOROPHENYL)METHOXY]PHENYL]-5-OXO-PYRROLIDIN-3-YL]ACETAMIDE HOFFMANN-LA ROCHE INC. (US) 2016-08-18 US disclosed
US-20160046639-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AS KINASE INHIBITORS DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-02-18 US disclosed
US-20160046639-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AS KINASE INHIBITORS DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-02-18 US disclosed
US-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 US disclosed
US-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 US disclosed
US-7342014-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-11 US disclosed
US-7342014-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-11 US disclosed
US-20080015215-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-01-17 US disclosed
US-20080015215-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-01-17 US disclosed
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-09 US disclosed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 US disclosed
CN-1054980-A Optically active 8-BAY 128039 carboxylic acid derivative, their preparation method and their intermediate KYORIN SEIYAKU KK (JP) 1991-10-02 CN 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-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X F2, C1S, C9 GAA 4757/4885BTK 1356/4885NFKB1 965/4885
US-20080015215-A1 DIAMINE DERIVATIVES C9, C1S, C1R GAA 4788/4885BTK 1281/4885NFKB1 806/4885
US-20230020952-A1 MACROCYCLES COMPRISING A 4-AMIDO-2,4-PENTADIENOATE MOIETY FOR THE TREATMENT OF HYPOXIC CANCERS DLD, HIF1A, DPYD GAA 1744/4885BTK 4690/4885NFKB1 3145/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R GAA 4788/4885BTK 1281/4885NFKB1 806/4885
US-20160046639-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AS KINASE INHIBITORS ROS1, JAK1, ERBB2 GAA 2515/4885BTK 289/4885NFKB1 1116/4885
US-20160237032-A1 PROCESS TO MANUFACTURE N-[(3S)-1-[4-[(3-FLUOROPHENYL)METHOXY]PHENYL]-5-OXO-PYRROLIDIN-3-YL]ACETAMIDE NANS, PFAS, ALDH18A1 GAA 285/4885BTK 4408/4885NFKB1 2978/4885
US-12415789-B2 Macrocycles comprising a 4-amido-2,4-pentadienoate moiety for the treatment of hypoxic cancers DLD, HIF1A, DPYD GAA 1744/4885BTK 4690/4885NFKB1 3145/4885

“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.