SCHEMBL17900970

SCHEMBL17900970

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CYP2D6 P10635 1/20 0.38
▸ CTSK P43235 10/20 0.38
▸ CTSS P25774 5/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ PSENEN Q9NZ42 1/20 0.34

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
SCHEMBL17901131 1.00 CA1 (0.41) CA1CA2CA7CYP2D6CTSK
SCHEMBL19726563 1.00 CA1 (0.41) CA1CA2CA7CYP2D6CTSK
SCHEMBL17901096 0.92 CTSK (0.41) CA1CA2CA7CYP2D6CTSK
SCHEMBL20682998 0.92 CTSK (0.41) CA1CA2CA7CYP2D6CTSK
SCHEMBL17901293 0.91 CTSK (0.41) CA1CA2CA7CYP2D6CTSK
SCHEMBL20682978 0.91 CTSK (0.41) CA1CA2CA7CYP2D6CTSK
SCHEMBL17906535 0.90 CA1 (0.41) CA1CA2CA7CYP2D6CTSK
SCHEMBL17905304 0.90 CA1 (0.41) CA1CA2CA7CYP2D6CTSK
SCHEMBL20682982 0.88 CA1 (0.40) CA1CA2CA7CYP2D6CTSK
SCHEMBL17901291 0.88 CA1 (0.40) CA1CA2CA7CYP2D6CTSK

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 4 patents. 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
US-20170360038-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY CORTEVA AGRISCIENCE LLC 2017-12-21 — — US disclosed
WO-2016109302-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-07-07 — — WO disclosed
WO-2016109303-A1 USE OF PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-07-07 — — 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 (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-20170360038-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY PFAS, CASP2, CYP1A2 CA1 2106/4885CA2 247/4885CA7 1496/4885
US-10188109-B2 Picolinamide compounds with fungicidal activity PFAS, CASP2, CYP1A2 CA1 2106/4885CA2 247/4885CA7 1496/4885

“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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