SCHEMBL21524659

SCHEMBL21524659

CCCOC(C)(C)CCOC(C)(C)CCNC(=O)CCCC[C@@H]1SCC2NC(=O)NC21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.58
▸ F2 P00734 1/20 0.55
▸ PRSS1 P07477 1/20 0.55
▸ PRSS2 P07478 1/20 0.55
▸ PRSS3 P35030 1/20 0.55
▸ TPSAB1 Q15661 1/20 0.55
▸ CA12 O43570 2/20 0.54
▸ CA1 P00915 2/20 0.54
▸ CA2 P00918 2/20 0.54
▸ CA9 Q16790 2/20 0.54
▸ HLCS P50747 2/20 0.51
▸ PKM P14618 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ ABL1 P00519 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ IDE P14735 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ RIN1 Q13671 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL21524702 0.93 TDP1 (0.56) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL18736958 0.91 TDP1 (0.61) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL19772947 0.91 TDP1 (0.61) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL23571711 0.91 TDP1 (0.61) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL17662507 0.91 TDP1 (0.61) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL18612885 0.90 TDP1 (0.55) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL23072576 0.89 F2 (0.51) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL19917571 0.88 F2 (0.52) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL24067568 0.88 TDP1 (0.63) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL26585156 0.88 TDP1 (0.56) TDP1F2PRSS1PRSS2PRSS3

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-10458988-B2 Biotinylated luminescent probe MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2019-10-29 — — 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-10458988-B2 Biotinylated luminescent probe HCCS, LUC7L2, MKI67 TDP1 2179/4885F2 4515/4885PRSS1 3184/4885

“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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