SCHEMBL17901019

SCHEMBL17901019

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 1/20 0.36
▸ DNM1 Q05193 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ EPHX1 P07099 1/20 0.34
▸ TSHR P16473 2/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ TLR2 O60603 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ HCAR2 Q8TDS4 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
SCHEMBL20682971 1.00 NAAA (0.36) NAAADNM1NPC1MAPTRAB9A
SCHEMBL17901021 0.95 ALDH1A1 (0.36) MAPTALDH1A1LMNATSHRCTSK
SCHEMBL20682925 0.95 ALDH1A1 (0.36) MAPTALDH1A1LMNATSHRCTSK
SCHEMBL20682885 0.89 — —
SCHEMBL17900988 0.89 — —
SCHEMBL17901324 0.89 — —
SCHEMBL20682955 0.81 CHRNB2 (0.32) —
SCHEMBL17901013 0.81 CHRNB2 (0.32) —
SCHEMBL17901330 0.81 — —
SCHEMBL20682778 0.81 — —

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 NAAA 928/4885DNM1 3246/4885NPC1 1093/4885
US-10188109-B2 Picolinamide compounds with fungicidal activity PFAS, CASP2, CYP1A2 NAAA 928/4885DNM1 3246/4885NPC1 1093/4885

“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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