SCHEMBL11404

SCHEMBL11404

CC(C)C(=O)NCC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
ERCC1 P07992 1/20 0.35
ERCC4 Q92889 1/20 0.35
MLYCD O95822 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
IDO1 P14902 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL23547613 0.86 CTSS (0.37) CTSSCTSKCYP2D6CYP2C9CYP2C19
SCHEMBL19873061 0.84 MEN1 (0.45) CTSSCTSKKMT2APSEN1PSEN2
SCHEMBL15271574 0.84 CTSS (0.41) CTSSCTSKPSEN1PSEN2APH1B
SCHEMBL19364388 0.84 ADRB2 (0.35) CTSSCTSKCYP2D6CYP2C9CYP2C19
SCHEMBL16338109 0.84 MEN1 (0.45) CTSSCTSKKMT2APSEN1PSEN2
SCHEMBL14142146 0.82 CTSS (0.40) CTSSCTSKPSEN1PSEN2APH1B
SCHEMBL14995787 0.82 CTSS (0.40) CTSSCTSKPSEN1PSEN2APH1B
SCHEMBL22972537 0.82 CTSS (0.40) CTSSCTSKPSEN1PSEN2APH1B
SCHEMBL14712292 0.82 CTSS (0.40) CTSSCTSKPSEN1PSEN2APH1B
SCHEMBL24595157 0.82 CTSS (0.40) CTSSCTSKCYP2C9CYP2C19PSEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109743875-B Inhibitors of the MENIN-MLL interaction 生命医药有限责任公司 2022-04-29 CN claimed
EP-3590933-B1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2021-01-06 EP claimed
EP-2638031-B9 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2020-01-08 EP claimed
EP-3124483-B1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2019-07-10 EP claimed
EP-2638031-B1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2017-10-11 EP claimed
EP-3124483-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. Hoffmann-La Roche AG (CH) 2017-02-01 EP claimed
US-8815882-B2 Pyrazole aminopyrimidine derivatives as LRRK2 modulators GENENTECH, INC. (US) 2014-08-26 US claimed
EP-2638031-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-09-18 EP claimed
US-20120157427-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 US claimed
WO-2012062783-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-05-18 WO claimed
EP-4635940-A1 PHENOXYCARBAMOYL CHLORIDE COMPOUND AND METHOD FOR PRODUCING SAME Nippon Soda Co., Ltd. (JP) 2025-10-22 EP disclosed
EP-4366829-A1 PHENYL ACETAMIDE BASED IL-17A MODULATORS AND USES THEREOF Dice Alpha, Inc. (US) 2024-05-15 EP disclosed
WO-2024030651-A1 GPX4 INHIBITORS AND USE THEREOF SONATA THERAPEUTICS, INC. (US) 2024-02-08 WO disclosed
US-11834515-B2 Macrocyclic compounds as proteasome inhibitors CORNELL UNIVERSITY (US) 2023-12-05 US disclosed
US-11834515-B2 Macrocyclic compounds as proteasome inhibitors CORNELL UNIVERSITY (US) 2023-12-05 US disclosed
US-20090149483-A1 BICYCLIC PYRROLE DERIVATIVES DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-06-11 US disclosed
US-20080318922-A1 Bicyclic Pyrrole Derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-12-25 US disclosed
US-7414057-B2 Piperazine urea derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2008-08-19 US disclosed
US-7414057-B2 Piperazine urea derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2008-08-19 US disclosed
EP-1829877-A1 BICYCLIC PYRROLE DERIVATIVES Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-09-05 EP 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 (4 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-20080318922-A1 Bicyclic Pyrrole Derivatives DPP4, DPP7, DPP3 CTSS 644/4885CTSK 1253/4885CYP2D6 13/4885
US-11834515-B2 Macrocyclic compounds as proteasome inhibitors PSMB5, PSMB1, PSMB3 CTSS 640/4885CTSK 1101/4885CYP2D6 2731/4885
US-20090149483-A1 BICYCLIC PYRROLE DERIVATIVES DPP4, DPP7, DPP3 CTSS 747/4885CTSK 1415/4885CYP2D6 15/4885
US-20120157427-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS LRRK2, PARK7, PINK1 CTSS 4347/4885CTSK 3483/4885CYP2D6 1997/4885

“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.