SCHEMBL976009

SCHEMBL976009

O=C(O)[C@H](CS)NC(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
ALOX15 P16050 1/20 0.48
NFKB1 P19838 1/20 0.48
PTGS2 P35354 1/20 0.48
THPO P40225 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ACE P12821 6/20 0.44
FOLH1 Q04609 2/20 0.41
PTGS1 P23219 1/20 0.36
SLC7A11 Q9UPY5 1/20 0.36
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ENPEP Q07075 2/20 0.32
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
ECE1 P42892 1/20 0.30

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
SCHEMBL977947 1.00 KDM4E (0.48) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL28606489 1.00 KDM4E (0.48) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL5829807 0.83 FOLH1 (0.36) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL5829805 0.83 FOLH1 (0.36) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL3923217 0.77 MAPT (0.54) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL560423 0.77 MAPT (0.54) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL14331802 0.77 CA2 (0.41) MAPTSMN1; SMN2FOLH1CA1CA2
SCHEMBL560422 0.77 MAPT (0.54) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL14331805 0.77 CA2 (0.41) MAPTSMN1; SMN2FOLH1CA1CA2
SCHEMBL30577821 0.77 SMN1; SMN2 (0.35) KDM4EMAPTTHRBALOX15NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3966226-B1 MASP INHIBITORY COMPOUNDS AND USES THEREOF BAYER AG (DE) 2025-12-24 EP disclosed
US-12503491-B2 MASP inhibitory compounds and uses thereof BAYER AKTIENGESELLSCHAFT (DE) 2025-12-23 US disclosed
US-12467928-B2 N-terminal modifier agents and binders for treating and analyzing peptides DF PEPTIDE ACQUISITION LLC 2025-11-11 US disclosed
US-20240377408-A1 N-TERMINAL MODIFIER AGENTS AND BINDERS FOR TREATING AND ANALYZING PEPTIDES DF PEPTIDE ACQUISITION LLC 2024-11-14 US disclosed
US-20240124522-A1 MASP INHIBITORY COMPOUNDS AND USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2024-04-18 US disclosed
US-20230303647-A1 CYCLIC CHEMERIN-9 DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2023-09-28 US disclosed
US-20230220589-A1 POLYPEPTIDE TERMINAL BINDERS AND USES THEREOF Encodia, Inc. (US) 2023-07-13 US disclosed
CN-116390742-A Cyclic chemokine-9 derivatives 拜耳公司 2023-07-04 CN disclosed
EP-4196143-A1 CYCLIC CHEMERIN-9 DERIVATIVES Bayer Aktiengesellschaft (DE) 2023-06-21 EP disclosed
US-11667675-B2 MASP inhibitory compounds and uses thereof BAYER AKTIENGESELLSCHAFT (DE) 2023-06-06 US disclosed
EP-3966226-A1 MASP INHIBITORY COMPOUNDS AND USES THEREOF Bayer Aktiengesellschaft (DE) 2022-03-16 EP disclosed
WO-2022034057-A1 CYCLIC CHEMERIN-9 DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2022-02-17 WO disclosed
US-20210246166-A1 MASP INHIBITORY COMPOUNDS AND USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2021-08-12 US disclosed
CN-109091681-B [18F]Trifluoromethyl sulfur-containing amino acid PET developer and preparation method and application thereof 中山大学附属第一医院 2021-08-03 CN disclosed
CN-109091681-B [18F]Trifluoromethyl sulfur-containing amino acid PET developer and preparation method and application thereof 中山大学附属第一医院 2021-08-03 CN disclosed
WO-2020225095-A1 MASP INHIBITORY COMPOUNDS AND USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2020-11-12 WO disclosed
CN-109091681-A [18F]Trifluoromethyl sulfur-containing amino acid PET developer and preparation method and application thereof 中山大学附属第医院 2018-12-28 CN disclosed
US-20110015433-A1 Simple preparation of trifluoromethionine and derivatives thereof NATIONAL UNIVERSITY CORPORATION NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2011-01-20 US disclosed
US-20110015433-A1 Simple preparation of trifluoromethionine and derivatives thereof NATIONAL UNIVERSITY CORPORATION NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2011-01-20 US disclosed
JP-2011006359-A EASY METHOD FOR SYNTHESIZING TRIFLUOROMETHYLMETHIONINE AND DERIVATIVE THEREOF NAGOYA INSTITUTE OF TECHNOLOGY 2011-01-13 JP 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 (6 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-12503491-B2 MASP inhibitory compounds and uses thereof MASP2, SERPINB1, SPINT2 KDM4E 4724/4885MAPT 4377/4885THRB 2067/4885
US-20230303647-A1 CYCLIC CHEMERIN-9 DERIVATIVES CMKLR1, CMKLR2, CCL2 KDM4E 4718/4885MAPT 4465/4885THRB 515/4885
US-11667675-B2 MASP inhibitory compounds and uses thereof MASP2, SERPINB1, SPINT2 KDM4E 4724/4885MAPT 4377/4885THRB 2067/4885
US-20110015433-A1 Simple preparation of trifluoromethionine and derivatives thereof CTH, AHCY, CBS KDM4E 3628/4885MAPT 2438/4885THRB 2010/4885
US-20240124522-A1 MASP INHIBITORY COMPOUNDS AND USES THEREOF MASP2, SERPINB1, SPINT2 KDM4E 4724/4885MAPT 4377/4885THRB 2067/4885
US-20210246166-A1 MASP INHIBITORY COMPOUNDS AND USES THEREOF MASP2, SERPINB1, SPINT2 KDM4E 4724/4885MAPT 4377/4885THRB 2067/4885

“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.