SCHEMBL25459969

SCHEMBL25459969

CNC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 4/20 0.48
▸ CTSS P25774 3/20 0.48
▸ MMP1 P03956 1/20 0.44
▸ MMP3 P08254 1/20 0.44
▸ MMP9 P14780 1/20 0.44
▸ CA2 P00918 1/20 0.43
▸ BACE1 P56817 3/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CAPN1 P07384 1/20 0.39
▸ SIRT5 Q9NXA8 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
SCHEMBL23106074 0.91 CTSK (0.50) CTSKCTSSCA2BACE1MEN1
SCHEMBL17902991 0.90 CTSS (0.52) CTSKCTSSCA2BACE1MEN1
SCHEMBL17581833 0.90 CTSS (0.52) CTSKCTSSCA2BACE1MEN1
SCHEMBL12283739 0.90 CTSS (0.52) CTSKCTSSCA2BACE1MEN1
SCHEMBL13436631 0.90 CTSS (0.52) CTSKCTSSCA2BACE1MEN1
SCHEMBL14012280 0.90 CTSS (0.52) CTSKCTSSCA2BACE1MEN1
SCHEMBL28342732 0.89 CTSK (0.48) CTSKCTSSCA2BACE1MEN1
SCHEMBL17209941 0.89 CTSK (0.48) CTSKCTSSCA2BACE1MEN1
SCHEMBL20177212 0.88 MMP1 (0.43) CTSKCTSSMMP1MMP3MMP9
SCHEMBL23998665 0.86 CTSS (0.51) CTSKCTSSCA2BACE1MEN1

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-20230141981-A1 NOVEL COMPOUNDS AND COMPOSITION FOR TARGETED THERAPY OF KIDNEY-ASSOCIATED CANCERS Shanghai MICURX Pharmaceuticals Co., Ltd. (CN) 2023-05-11 — — US disclosed
WO-2023066314-A1 BICYCLIC PEPTIDE LIGAND FOR NECTIN-4 AND USE THEREOF 海思科医药集团股份有限公司 2023-04-27 — — WO 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 (1 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-20230141981-A1 NOVEL COMPOUNDS AND COMPOSITION FOR TARGETED THERAPY OF KIDNEY-ASSOCIATED CANCERS GLS, ATP6V1B1, KRAS CTSK 571/4885CTSS 1188/4885MMP1 3421/4885

“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