SCHEMBL22502801

SCHEMBL22502801

C[C@@H](OC(=O)[C@H](CCC(C)(C)F)N(C)C(=O)OC(C)(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 2/20 0.38
▸ CTSL P07711 1/20 0.38
▸ CTSB P07858 1/20 0.38
▸ CTSS P25774 1/20 0.38
▸ MMP13 P45452 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ SYK P43405 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ AAK1 Q2M2I8 1/20 0.36
▸ ITGB3 P05106 1/20 0.35
▸ ITGA2B P08514 1/20 0.35
▸ REN P00797 1/20 0.34
▸ ABCB1 P08183 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL24093690 0.90 MMP13 (0.38) CTSKCTSLCTSBCTSSMMP13
SCHEMBL18248065 0.90 MMP13 (0.38) CTSKCTSLCTSBCTSSMMP13
SCHEMBL18256297 0.90 MMP13 (0.38) CTSKCTSLCTSBCTSSMMP13
SCHEMBL22651717 0.89 CTSK (0.41) CTSKCTSLCTSBCTSSMMP13
SCHEMBL18256528 0.89 SYK (0.40) CTSKCTSLCTSBCTSSMMP13
SCHEMBL18248075 0.89 SYK (0.40) CTSKCTSLCTSBCTSSMMP13
SCHEMBL22651644 0.88 MMP13 (0.36) CTSKCTSLCTSBCTSSMMP13
SCHEMBL22651599 0.87 L3MBTL1 (0.40) CTSKCTSLCTSBCTSSMMP13
SCHEMBL18248147 0.85 MMP13 (0.39) CTSKCTSLCTSBCTSSMMP13
SCHEMBL23269885 0.85 MMP13 (0.39) CTSKCTSLCTSBCTSSMMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10793604-B2 Anthelmintic depsipeptide compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2020-10-06 — — 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 (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-10793604-B2 Anthelmintic depsipeptide compounds VIP, PREP, DNPEP CTSK 204/4885CTSL 86/4885CTSB 101/4885

“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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