SCHEMBL17433717

SCHEMBL17433717

CC(C)(C)OC(=O)CNCc1ccc2sc(C(=O)OC(C)(C)C)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.49
STING1 Q86WV6 1/20 0.43
PPARA Q07869 2/20 0.41
CLK1 P49759 2/20 0.38
VSIR Q9H7M9 1/20 0.37
S1PR1 P21453 1/20 0.36
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
DYRK1A Q13627 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
ACKR3 P25106 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
SCHEMBL17486375 0.92 HDAC1 (0.48) HDAC1STING1PPARACLK1VSIR
SCHEMBL16355938 0.88 HDAC1 (0.45) HDAC1STING1PPARACLK1VSIR
SCHEMBL17433719 0.80 STING1 (0.42) HDAC1STING1PPARACLK1MEN1
SCHEMBL16066468 0.77 HDAC1 (0.46) HDAC1PPARACLK1S1PR1
SCHEMBL15876079 0.76 MEN1 (0.48) HDAC1STING1CLK1MEN1MAPT
SCHEMBL17433724 0.76 MAPT (0.36) STING1VSIRS1PR1MAPT
SCHEMBL16355776 0.75 LMNA (0.50) S1PR1MAPT
SCHEMBL13662612 0.75 ATM (0.44) VSIRS1PR1MEN1MAPTKMT2A
SCHEMBL15876029 0.74 SLC7A5 (0.54) VSIR
SCHEMBL25306609 0.73 DYRK1A (0.41) STING1PPARACLK1MEN1MAPT

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 HDAC1 1487/4885STING1 1262/4885PPARA 412/4885

“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.