SCHEMBL21778743

SCHEMBL21778743

CCS(=O)(=O)CC(=O)c1cnc(Cl)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.49
JUN P05412 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
MAPT P10636 3/20 0.34
ALDH1A1 P00352 4/20 0.33
CYP2D6 P10635 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
XBP1 P17861 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL26677090 0.80 SIRT6 (0.57) SIRT6JUNNFKB1NFKB2RELA
SCHEMBL17992259 0.79 MAOB (0.45) MAPTL3MBTL1RAB9ASMN1; SMN2NPC1
SCHEMBL19429565 0.78 SIRT6 (0.54) SIRT6MAPTALDH1A1RAB9AKMT2A
SCHEMBL20398731 0.74 SIRT6 (0.59) SIRT6JUNNFKB1NFKB2RELA
SCHEMBL13539179 0.73 SIRT6 (0.57) SIRT6JUNNFKB1NFKB2RELA
SCHEMBL3306506 0.73 SIRT6 (0.57) SIRT6JUNNFKB1NFKB2RELA
SCHEMBL14387783 0.73 SIRT6 (0.57) SIRT6JUNNFKB1NFKB2RELA
SCHEMBL17992227 0.72 ALDH1A1 (0.51) NFKB1MAPTALDH1A1L3MBTL1RAB9A
SCHEMBL17987946 0.72 APLNR (0.40) NFKB1MAPTALDH1A1L3MBTL1RAB9A
SCHEMBL509740 0.71 SIRT6 (0.46) SIRT6JUNNFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025022915-A1 METHOD FOR PRODUCING 2-ETHYLSULFONYL-1-HETEROARYLETHANONE COMPOUND 日本曹達株式会社 2025-01-30 WO disclosed
US-20210230137-A1 PYRAZINE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-07-29 US disclosed
US-11001567-B2 Pyrazine compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-05-11 US disclosed
US-20200109128-A1 PYRAZINE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-04-09 US disclosed
US-10577343-B2 Pyrazine compound and arthropod pest control agent containing same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-03-03 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 (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-20210230137-A1 PYRAZINE COMPOUND PPOX, NOX5, NISCH SIRT6 1562/4885JUN 3593/4885NFKB1 2130/4885
US-10577343-B2 Pyrazine compound and arthropod pest control agent containing same PPOX, NOX5, NISCH SIRT6 1534/4885JUN 3705/4885NFKB1 2489/4885
US-11001567-B2 Pyrazine compound PPOX, NOX5, NISCH SIRT6 1562/4885JUN 3593/4885NFKB1 2130/4885
US-20200109128-A1 PYRAZINE COMPOUND PPOX, NOX5, NISCH SIRT6 1562/4885JUN 3593/4885NFKB1 2130/4885

“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.