SCHEMBL17433719

SCHEMBL17433719

CC(C)(C)OC(=O)c1cc2cc(CBr)ccc2s1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 1/20 0.42
HDAC1 Q13547 4/20 0.40
CLK1 P49759 6/20 0.40
DYRK1A Q13627 5/20 0.40
DYRK1B Q9Y463 3/20 0.40
PPARA Q07869 1/20 0.40
LMNA P02545 2/20 0.40
CLK2 P49760 2/20 0.39
TBXAS1 P24557 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA2 P00918 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
PTPN2 P17706 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37

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
SCHEMBL10951469 0.86 MEN1 (0.49) HDAC1CLK1DYRK1ADYRK1BPPARA
SCHEMBL30474713 0.86 MEN1 (0.49) HDAC1CLK1DYRK1ADYRK1BPPARA
SCHEMBL9176841 0.83 CYP4F2 (0.51) STING1HDAC1CLK1DYRK1ADYRK1B
SCHEMBL2947888 0.81 LMNA (0.60) STING1CLK1DYRK1ADYRK1BPPARA
SCHEMBL17486405 0.81 CLK1 (0.61) HDAC1CLK1DYRK1ADYRK1BLMNA
SCHEMBL17433717 0.80 HDAC1 (0.49) STING1HDAC1CLK1DYRK1ADYRK1B
SCHEMBL15876079 0.80 MEN1 (0.48) STING1HDAC1CLK1DYRK1ADYRK1B
SCHEMBL9757029 0.79 TBXAS1 (0.56) HDAC1CLK1DYRK1ADYRK1BLMNA
SCHEMBL14793908 0.79 TSHR (0.41) HDAC1CLK1DYRK1APPARALMNA
SCHEMBL23466533 0.78 CLK1 (0.43) STING1CLK1DYRK1ADYRK1BLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2975023-B1 GUANIDINOBENZOIC ACID ESTER COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-05-30 EP disclosed
US-9969709-B2 Guanidinobenzoic acid ester compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-15 US disclosed
US-20160031847-A1 GUANIDINOBENZOIC ACID ESTER COMPOUND ASTELLAS PHARMA INC. (JP) 2016-02-04 US disclosed
EP-2975023-A1 GUANIDINOBENZOIC ACID ESTER COMPOUND Astellas Pharma Inc. (JP) 2016-01-20 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 (1 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-20160031847-A1 GUANIDINOBENZOIC ACID ESTER COMPOUND SERPINB1, REN, SPINT2 STING1 1262/4885HDAC1 1487/4885CLK1 3495/4885

“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.