SCHEMBL20682978

SCHEMBL20682978

CCCCCO[C@@H](C)C(OC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 10/20 0.41
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ HRH2 P25021 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ CTSS P25774 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL17901293 1.00 CTSK (0.41) CTSKCA1CA2CA7HRH2
SCHEMBL20682998 0.96 CTSK (0.41) CTSKCA1CA2CA7HRH2
SCHEMBL17901096 0.96 CTSK (0.41) CTSKCA1CA2CA7HRH2
SCHEMBL17901131 0.91 CA1 (0.41) CTSKCA1CA2CA7CTSS
SCHEMBL17900970 0.91 CA1 (0.41) CTSKCA1CA2CA7CTSS
SCHEMBL19726563 0.91 CA1 (0.41) CTSKCA1CA2CA7CTSS
SCHEMBL20682919 0.86 CA1 (0.37) CTSKCA1CA2CA7HRH2
SCHEMBL17901142 0.86 CA1 (0.37) CTSKCA1CA2CA7HRH2
SCHEMBL17900972 0.86 CA1 (0.37) CTSKCA1CA2CA7HRH2
SCHEMBL20682982 0.85 CA1 (0.40) CTSKCA1CA2CA7CTSS

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-10188109-B2 Picolinamide compounds with fungicidal activity DOW AGROSCIENCES LLC (US) 2019-01-29 — — 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-10188109-B2 Picolinamide compounds with fungicidal activity PFAS, CASP2, CYP1A2 CTSK 2808/4885CA1 2106/4885CA2 247/4885

“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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