SCHEMBL22404789

SCHEMBL22404789

O=C(O)CC[C@H](NC(=O)CNC(=O)C(=O)Nc1c(F)cccc1F)C(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 5/20 0.42
▸ CASP6 P55212 4/20 0.42
▸ CASP8 Q14790 4/20 0.42
▸ GAA P10253 1/20 0.38
▸ TLR7 Q9NYK1 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ FOLH1 Q04609 1/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SLC6A9 P48067 1/20 0.34
▸ CTSL P07711 1/20 0.34
▸ CTSB P07858 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ GPR139 Q6DWJ6 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
SCHEMBL22390688 0.86 CASP3 (0.50) CASP3CASP6CASP8
SCHEMBL22390689 0.86 CASP3 (0.50) CASP3CASP6CASP8
SCHEMBL22390727 0.84 CASP3 (0.59) CASP3CASP6CASP8
SCHEMBL22390725 0.84 CASP3 (0.59) CASP3CASP6CASP8
SCHEMBL25097139 0.76 CASP3 (0.44) CASP3CASP6CASP8
SCHEMBL18850538 0.74 CASP3 (0.71) CASP3CASP6CASP8
SCHEMBL22404648 0.73 CASP3 (0.51) CASP3CASP6CASP8
SCHEMBL22390677 0.72 PPARG (0.43) LMNACTSSCTSK
SCHEMBL22390674 0.72 PPARG (0.43) LMNACTSSCTSK
SCHEMBL30220156 0.69 CASP3 (0.46) CASP3CASP6CASP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250067-A1 CASPASE INHIBITORS AND METHODS OF USE THEREOF NOBO MEDICINE INC. (KR) 2023-08-10 — — US disclosed
US-11597703-B2 Caspase inhibitors and methods of use thereof HISTOGEN, INC. (US) 2023-03-07 — — US disclosed
US-20200283396-A1 CASPASE INHIBITORS AND METHODS OF USE THEREOF NOBO MEDICINE INC. (KR) 2020-09-10 — — 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 (3 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-20230250067-A1 CASPASE INHIBITORS AND METHODS OF USE THEREOF CASP1, CASP3, CASP7 CASP3 2/4885CASP6 8/4885CASP8 9/4885
US-20200283396-A1 CASPASE INHIBITORS AND METHODS OF USE THEREOF CASP1, CASP3, CASP7 CASP3 2/4885CASP6 8/4885CASP8 9/4885
US-11597703-B2 Caspase inhibitors and methods of use thereof CASP1, CASP3, CASP7 CASP3 2/4885CASP6 8/4885CASP8 9/4885

“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.

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