SCHEMBL20827012

SCHEMBL20827012

CC(C)COC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 11/20 0.57
▸ CTSL P07711 6/20 0.54
▸ CTSS P25774 5/20 0.54
▸ CTSB P07858 5/20 0.54
▸ CASP1 P29466 3/20 0.53
▸ CAPN1 P07384 2/20 0.50
▸ CAPN2 P17655 1/20 0.50

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
Water SCHEMBL44988 0.99 CTSK (0.56) CTSKCTSLCTSSCTSBCASP1
SCHEMBL6675104 0.95 CTSK (0.54) CTSKCTSLCTSSCTSBCASP1
SCHEMBL27919626 0.92 CTSK (0.57) CTSKCTSLCTSSCTSBCASP1
SCHEMBL2912589 0.89 CASP1 (0.60) CTSKCTSLCTSSCTSBCASP1
SCHEMBL7583002 0.89 CASP1 (0.60) CTSKCTSLCTSSCTSBCASP1
SCHEMBL2912586 0.89 CASP1 (0.60) CTSKCTSLCTSSCTSBCASP1
SCHEMBL20827013 0.88 CASP1 (0.55) CTSKCTSLCTSSCTSBCASP1
SCHEMBL7975561 0.87 CASP1 (0.55) CTSKCTSLCTSSCTSBCASP1
SCHEMBL3012469 0.87 CASP1 (0.56) CTSKCTSLCTSSCTSBCASP1
SCHEMBL3012475 0.87 CASP1 (0.56) CTSKCTSLCTSSCTSBCASP1

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 6 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
WO-2021073643-A1 DRUG FOR TREATING NON-ALCOHOLIC STEATOHEPATITIS 正大天晴药业集团股份有限公司 2021-04-22 — — WO 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
EP-3456711-A1 CASPASE INHIBITOR AND PHARMACEUTICAL COMPOSITION, USE AND THERAPEUTIC METHOD THEREOF Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2019-03-20 — — 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 (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 CTSK 76/4885CTSL 36/4885CTSS 72/4885
US-11434212-B2 Bicyclic compound as a caspase inhibitor CASP1, CASP14, CASP2 CTSK 135/4885CTSL 73/4885CTSS 174/4885
US-20210332019-A1 Bicyclic Compound as a Caspase Inhibitor CASP1, CASP14, CASP2 CTSK 135/4885CTSL 73/4885CTSS 174/4885
US-20190135733-A1 CASPASE INHIBITOR AND PHARMACEUTICAL COMPOSITION, USE AND THERAPEUTIC METHOD THEREOF CASP1, CASP14, CASP2 CTSK 76/4885CTSL 36/4885CTSS 72/4885

“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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