SCHEMBL21761832

SCHEMBL21761832

CC(F)S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.42
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
MAPT P10636 4/20 0.37
NPSR1 Q6W5P4 3/20 0.37
HDAC8 Q9BY41 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP2D6 P10635 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35

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
SCHEMBL819456 0.86 CES2 (0.43) CES2CA1CA2MAPTNPSR1
SCHEMBL13623436 0.81 CES2 (0.46) CES2CA1CA2MAPTNPSR1
SCHEMBL13404445 0.76 LOX (0.35) CES2CA1CA2MAPTNPSR1
SCHEMBL10157178 0.76 PTGS1 (0.36) CES2CA1CA2MAPTNPSR1
SCHEMBL10068845 0.74 CES2 (0.48) CES2CA1CA2MAPTNPSR1
SCHEMBL3507443 0.73 CES2 (0.52) CES2CA1CA2MAPTNPSR1
SCHEMBL13018927 0.73 HSD11B1 (0.40) CES2CA1CA2MAPTNPSR1
SCHEMBL28753502 0.72 CES2 (0.50) CES2CA1CA2MAPTNPSR1
SCHEMBL7419004 0.71 CES2 (0.40) CES2CA1CA2MAPTHDAC8
SCHEMBL13063654 0.71 CES2 (0.45) CES2CA1CA2MAPTHDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10889579-B2 Thiazine derivatives as β-secretase inhibitors and methods of use AMGEN INC. (US) 2021-01-12 US disclosed
US-20200062743-A1 THIAZINE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2020-02-27 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 (2 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-10889579-B2 Thiazine derivatives as β-secretase inhibitors and methods of use BACE1, BACE2, APP CES2 562/4885CA1 408/4885CA2 1509/4885
US-20200062743-A1 THIAZINE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND METHODS OF USE BACE1, BACE2, APP CES2 719/4885CA1 485/4885CA2 1635/4885

“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.