SCHEMBL19783967

SCHEMBL19783967

CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)NC(CCCNC(N)=O)C(=O)Nc1ccc(CCNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.51
▸ CA5A P35218 1/20 0.51
▸ SIRT2 Q8IXJ6 8/20 0.49
▸ SIRT1 Q96EB6 7/20 0.49
▸ SIRT3 Q9NTG7 3/20 0.49
▸ MMP3 P08254 2/20 0.48
▸ MMP1 P03956 1/20 0.48
▸ MMP9 P14780 1/20 0.48
▸ SIRT5 Q9NXA8 3/20 0.48
▸ CA1 P00915 2/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ KMT2A Q03164 1/20 0.45

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
SCHEMBL20282050 1.00 CA2 (0.51) CA2CA5ASIRT2SIRT1SIRT3
SCHEMBL17484948 0.90 SIRT2 (0.48) SIRT2SIRT1SIRT3SIRT5
SCHEMBL19784346 0.90 SIRT2 (0.50) SIRT2SIRT1SIRT3MMP3MMP1
SCHEMBL19783968 0.89 SIRT2 (0.53) CA2CA5ASIRT2SIRT1SIRT3
SCHEMBL19784482 0.89 SIRT2 (0.49) SIRT2SIRT1SIRT3SIRT5
SCHEMBL24276735 0.88 SIRT2 (0.49) SIRT2SIRT1SIRT3SIRT5MEN1
SCHEMBL26153676 0.88 CA1 (0.48) CA2SIRT2SIRT1SIRT3MMP3
SCHEMBL31045343 0.88 SIRT2 (0.56) SIRT2SIRT1SIRT3SIRT5
SCHEMBL29019197 0.87 SIRT2 (0.44) CA2SIRT2SIRT1SIRT3MMP3
SCHEMBL17211599 0.87 SIRT2 (0.44) CA2SIRT2SIRT1SIRT3MMP3

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-10233212-B2 Compounds, linker-drugs and ligand-drug conjugates INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2019-03-19 — — US disclosed
US-20180016300-A1 COMPOUNDS, LINKER-DRUGS AND LIGAND-DRUG CONJUGATES INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2018-01-18 — — 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-20180016300-A1 COMPOUNDS, LINKER-DRUGS AND LIGAND-DRUG CONJUGATES SLC43A1, HCAR3, SLC7A1 CA2 1440/4885CA5A 2797/4885SIRT2 1659/4885
US-10233212-B2 Compounds, linker-drugs and ligand-drug conjugates SLC43A1, HCAR3, SLC7A1 CA2 1440/4885CA5A 2797/4885SIRT2 1659/4885

“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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