SCHEMBL21481099

SCHEMBL21481099

COC(=O)CCC(NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)NC(CC(=O)OC)C(=O)CF)C(C)C

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.55
CASP3 P42574 5/20 0.51
CASP1 P29466 5/20 0.51
CASP9 P55211 4/20 0.51
CASP7 P55210 2/20 0.51
CTSB P07858 6/20 0.50
CTSK P43235 6/20 0.50
CASP6 P55212 2/20 0.47
CASP8 Q14790 2/20 0.47
CASP4 P49662 1/20 0.47
CASP5 P51878 1/20 0.47
CASP10 Q92851 1/20 0.47

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
SCHEMBL23133236 1.00 REN (0.55) RENCASP3CASP1CASP9CASP7
SCHEMBL29726616 1.00 REN (0.55) RENCASP3CASP1CASP9CASP7
SCHEMBL18328790 1.00 REN (0.55) RENCASP3CASP1CASP9CASP7
SCHEMBL20257270 1.00 REN (0.55) RENCASP3CASP1CASP9CASP7
SCHEMBL20257269 1.00 REN (0.55) RENCASP3CASP1CASP9CASP7
SCHEMBL20257268 0.95 CASP3 (0.57) RENCASP3CASP1CASP9CASP7
SCHEMBL23133258 0.95 CASP3 (0.57) RENCASP3CASP1CASP9CASP7
SCHEMBL28717078 0.95 CASP3 (0.57) RENCASP3CASP1CASP9CASP7
SCHEMBL23133257 0.95 CASP3 (0.57) RENCASP3CASP1CASP9CASP7
SCHEMBL18328791 0.95 CASP3 (0.57) RENCASP3CASP1CASP9CASP7

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-11007269-B2 P53 degradation inducing molecule and pharmaceutical composition TOKYO UNIVERSITY OF SCIENCE FOUNDATION (JP) 2021-05-18 US disclosed
US-20210088504-A1 PROTEIN DEGRADATION INDUCING TAG AND USAGE THEREOF TOKYO UNIVERSITY OF SCIENCE FOUNDATION (JP) 2021-03-25 US disclosed
US-20190314508-A1 P53 DEGRADATION INDUCING MOLECULE AND PHARMACEUTICAL COMPOSITION TOKYO UNIVERSITY OF SCIENCE FOUNDATION (JP) 2019-10-17 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-20190314508-A1 P53 DEGRADATION INDUCING MOLECULE AND PHARMACEUTICAL COMPOSITION TP53, TP53BP1, MDM2 REN 3676/4885CASP3 626/4885CASP1 919/4885
US-20210088504-A1 PROTEIN DEGRADATION INDUCING TAG AND USAGE THEREOF SENP8, SENP6, SENP7 REN 3248/4885CASP3 2987/4885CASP1 1744/4885
US-11007269-B2 P53 degradation inducing molecule and pharmaceutical composition TP53, TP53BP1, MDM2 REN 3676/4885CASP3 626/4885CASP1 919/4885

“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.