SCHEMBL20980796

SCHEMBL20980796

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 7/20 0.42
▸ CTSS P25774 4/20 0.42
▸ REN P00797 1/20 0.40
▸ SPPL2A Q8TCT8 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ CASP3 P42574 2/20 0.39
▸ CASP6 P55212 2/20 0.39
▸ CASP8 Q14790 2/20 0.39
▸ CTSL P07711 2/20 0.39
▸ TRPM8 Q7Z2W7 1/20 0.39
▸ PSMB1 P20618 1/20 0.39
▸ CTSB P07858 1/20 0.38
▸ ABCB1 P08183 1/20 0.38

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
SCHEMBL20981231 0.88 CTSK (0.40) CTSKCTSSCASP3CASP6CASP8
SCHEMBL26623362 0.88 CASP1 (0.43) CASP3CASP6CASP8TRPM8
SCHEMBL5795425 0.88 CASP1 (0.43) CASP3CASP6CASP8TRPM8
SCHEMBL3213032 0.88 SYK (0.44) CTSKCTSSCTSLTRPM8CTSB
SCHEMBL79910 0.88 SYK (0.44) CTSKCTSSCTSLTRPM8CTSB
SCHEMBL79132 0.88 SYK (0.44) CTSKCTSSCTSLTRPM8CTSB
SCHEMBL13804770 0.87 TRPM8 (0.38) CTSKCTSSRENATMCASP3
SCHEMBL17261863 0.83 REN (0.43) CTSKRENCASP3CASP6CASP8
SCHEMBL20980797 0.83 CASP3 (0.53) CTSKCTSSCASP3CASP6CASP8
SCHEMBL4434235 0.82 CTSD (0.44) RENCASP3CASP6CASP8

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
EP-3572402-B1 LINKED CYCLIC COMPOUND AS CASPASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2022-05-04 — — EP 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 (2 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 CTSK 76/4885CTSS 72/4885REN 245/4885
US-20190135733-A1 CASPASE INHIBITOR AND PHARMACEUTICAL COMPOSITION, USE AND THERAPEUTIC METHOD THEREOF CASP1, CASP14, CASP2 CTSK 76/4885CTSS 72/4885REN 245/4885

“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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