SCHEMBL20981231

SCHEMBL20981231

CC(C)COC(=O)C[C@H](NC(=O)c1ccc(NC(=O)OCc2ccccc2)cc1)C(O)COc1c(F)c(F)cc(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 2/20 0.40
▸ CTSS P25774 1/20 0.40
▸ KDM1A O60341 1/20 0.39
▸ RCOR1 Q9UKL0 1/20 0.39
▸ DNMT1 P26358 1/20 0.38
▸ DNMT3A Q9Y6K1 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ CXCR1 P25024 1/20 0.38
▸ CXCR2 P25025 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TP53 P04637 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ CASP6 P55212 1/20 0.36
▸ CASP8 Q14790 1/20 0.36
▸ MGLL Q99685 1/20 0.36

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
SCHEMBL20980796 0.88 CTSK (0.42) CTSKCTSSCASP3CASP6CASP8
SCHEMBL20981228 0.86 CASP3 (0.49) CASP3CASP6CASP8
SCHEMBL23251434 0.82 CASP3 (0.44) CTSKCTSSKDM1ARCOR1CXCR1
SCHEMBL26623362 0.77 CASP1 (0.43) CASP3CASP6CASP8
SCHEMBL5795425 0.77 CASP1 (0.43) CASP3CASP6CASP8
SCHEMBL79132 0.77 SYK (0.44) CTSKCTSS
SCHEMBL3213032 0.77 SYK (0.44) CTSKCTSS
SCHEMBL79910 0.77 SYK (0.44) CTSKCTSS
SCHEMBL20827575 0.76 CASP3 (0.56) CASP3CASP6CASP8
SCHEMBL13804770 0.76 TRPM8 (0.38) CTSKCTSSLMNAALDH1A1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 72/4885KDM1A 2766/4885
US-20190135733-A1 CASPASE INHIBITOR AND PHARMACEUTICAL COMPOSITION, USE AND THERAPEUTIC METHOD THEREOF CASP1, CASP14, CASP2 CTSK 76/4885CTSS 72/4885KDM1A 2766/4885

“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.

Send feedback