SCHEMBL20980797

SCHEMBL20980797

CC(C)COC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)COc1c(F)c(F)cc(F)c1F

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 11/20 0.53
▸ CASP6 P55212 11/20 0.53
▸ CASP8 Q14790 11/20 0.53
▸ CASP1 P29466 8/20 0.51
▸ CTSS P25774 1/20 0.46
▸ CTSK P43235 1/20 0.46

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
SCHEMBL20981228 0.89 CASP3 (0.49) CASP3CASP6CASP8
SCHEMBL26623257 0.87 CASP1 (0.62) CASP3CASP6CASP8CASP1
SCHEMBL26623260 0.87 CASP1 (0.62) CASP3CASP6CASP8CASP1
SCHEMBL78881 0.87 CASP3 (0.51) CASP3CASP6CASP8CASP1
SCHEMBL78880 0.87 CASP3 (0.51) CASP3CASP6CASP8CASP1
SCHEMBL22862226 0.85 KLK7 (0.54) CASP3CASP6CASP8CASP1
SCHEMBL20980796 0.83 CTSK (0.42) CASP3CASP6CASP8CTSSCTSK
SCHEMBL17261859 0.82 CASP3 (0.59) CASP3CASP6CASP8
SCHEMBL4425707 0.81 CASP3 (0.60) CASP3CASP6CASP8
SCHEMBL626915 0.81 CASP3 (0.60) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11434212-B2 Bicyclic compound as a caspase inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-09-06 — — US disclosed
US-20210332019-A1 Bicyclic Compound as a Caspase Inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2021-10-28 — — US disclosed
US-10981860-B2 Caspase inhibitor and pharmaceutical composition, use and therapeutic method thereof CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2021-04-20 — — US disclosed
US-20190135733-A1 CASPASE INHIBITOR AND PHARMACEUTICAL COMPOSITION, USE AND THERAPEUTIC METHOD THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2019-05-09 — — 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-10981860-B2 Caspase inhibitor and pharmaceutical composition, use and therapeutic method thereof CASP1, CASP14, CASP2 CASP3 7/4885CASP6 9/4885CASP8 11/4885
US-11434212-B2 Bicyclic compound as a caspase inhibitor CASP1, CASP14, CASP2 CASP3 9/4885CASP6 11/4885CASP8 4/4885
US-20210332019-A1 Bicyclic Compound as a Caspase Inhibitor CASP1, CASP14, CASP2 CASP3 9/4885CASP6 11/4885CASP8 4/4885
US-20190135733-A1 CASPASE INHIBITOR AND PHARMACEUTICAL COMPOSITION, USE AND THERAPEUTIC METHOD THEREOF CASP1, CASP14, CASP2 CASP3 7/4885CASP6 9/4885CASP8 11/4885

“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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