SCHEMBL237113

SCHEMBL237113

CN(C)C(O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.31

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
SCHEMBL15888518 0.72
SCHEMBL23986772 0.69 MAOB (0.32)
SCHEMBL62598 0.69
SCHEMBL6782280 0.69
SCHEMBL134356 0.69
SCHEMBL23986824 0.68 TP53 (0.33)
SCHEMBL17678920 0.67 ALDH1A1 (0.38) ALDH1A1MAPK1
SCHEMBL2738725 0.67
SCHEMBL3439787 0.67 ALDH1A1 (0.38) ALDH1A1MAPK1
SCHEMBL12888006 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3858387-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS Seagen Inc. (US) 2021-08-04 EP disclosed
US-20200347149-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS SEAGEN INC. 2020-11-05 US disclosed
US-10808039-B2 Monomethylvaline compounds capable of conjugation to ligands SEATTLE GENETICS INC. (US) 2020-10-20 US disclosed
US-20190338045-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS SEAGEN INC. 2019-11-07 US disclosed
US-10414826-B2 Monomethylvaline compounds capable of conjugation to ligands SEATTLE GENETICS, INC. (US) 2019-09-17 US disclosed
EP-3434275-A1 ASSAY FOR CANCER CELLS BASED ON THE USE OF AURISTATIN CONJUGATES WITH ANTIBODIES Seattle Genetics, Inc. (US) 2019-01-30 EP disclosed
US-20180127512-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS SEAGEN INC. 2018-05-10 US disclosed
EP-3120861-A1 INTERMEDIATE FOR CONJUGATE PREPARATION COMPRISING AURISTATIN DERIVATIVES AND A LINKER Seattle Genetics, Inc. (US) 2017-01-25 EP disclosed
US-20170000897-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS SEATTLE GENETICS, INC. 2017-01-05 US disclosed
EP-2478912-B1 Auristatin conjugates with anti-HER2 or anti-CD22 antibodies and their use in therapy SEATTLE GENETICS INC (US) 2016-08-31 EP disclosed
US-20050238649-A1 Auristatin and dolastatin analogs; for treating cancer, autoimmune diseases and infectious diseases SEATTLE GENETICS, INC. (US) 2005-10-27 US disclosed
WO-2005081711-A2 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS SEATTLE GENETICS, INC. (US) 2005-09-09 WO disclosed
US-20050131019-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2005-06-16 US disclosed
WO-2005023762-A1 PYRROLIDINE-2-CARBONITRILE DERIVATIVES AND THEIR USE AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2005-03-17 WO disclosed
US-20050004204-A1 2-Iminopyrrolidine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-01-06 US disclosed
EP-1391451-A1 2-IMINOPYRROLIDINE DERIVATES Eisai Co., Ltd. (JP) 2004-02-25 EP disclosed
EP-0758327-B1 PYRANONE COMPOUNDS USEFUL TO TREAT RETROVIRAL INFECTIONS UPJOHN CO (US) 2003-04-09 EP disclosed
US-6169181-B1 HUMAN IMMUNODEFICIENCY VIRUS PROTEINASE INHIBITORS PHARMACIA & UPJOHN COMPANY 2001-01-02 US disclosed
US-5852195-A Pyranone compounds useful to treat retroviral infections PHARMACIA & UPJOHN COMPANY (US) 1998-12-22 US disclosed
WO-1995030670-A2 PYRANONE COMPOUNDS USEFUL TO TREAT RETROVIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1995-11-16 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 (9 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-20180127512-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS MMAB, CAD, VIM ALDH1A1 3456/4885MAPK1 3536/4885
US-20050131019-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 ALDH1A1 2289/4885MAPK1 3839/4885
US-20050004204-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 ALDH1A1 437/4885MAPK1 464/4885
US-20190338045-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS MMAB, CAD, VIM ALDH1A1 3456/4885MAPK1 3536/4885
US-10414826-B2 Monomethylvaline compounds capable of conjugation to ligands MMAB, CAD, VIM ALDH1A1 3456/4885MAPK1 3536/4885
US-20050238649-A1 Auristatin and dolastatin analogs; for treating cancer, autoimmune diseases and infectious diseases CAD, MMAB, AURKC ALDH1A1 4361/4885MAPK1 3523/4885
US-10808039-B2 Monomethylvaline compounds capable of conjugation to ligands MMAB, CAD, VIM ALDH1A1 3456/4885MAPK1 3536/4885
US-20170000897-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS MMAB, CAD, VIM ALDH1A1 3456/4885MAPK1 3536/4885
US-20200347149-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS MMAB, CAD, VIM ALDH1A1 3456/4885MAPK1 3536/4885

“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.