SCHEMBL17905006

SCHEMBL17905006

C[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H](C)[C@H](Oc1ccc(Cl)cc1Cl)C1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 1/20 0.39
▸ HPGD P15428 4/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ GAA P10253 3/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ HTT P42858 1/20 0.39
▸ AAK1 Q2M2I8 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ PKM P14618 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ NLRP1 Q9C000 1/20 0.36
▸ TP53 P04637 1/20 0.36

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
SCHEMBL17905119 0.92 AAK1 (0.39) CACNA1BHPGDALDH1A1GAAMEN1
SCHEMBL17905505 0.88 AAK1 (0.40) HPGDALDH1A1GAAMEN1KMT2A
SCHEMBL17905117 0.86 CACNA1B (0.43) CACNA1BHPGDSMN1; SMN2ALDH1A1GAA
SCHEMBL17905613 0.86 CACNA1B (0.39) CACNA1BHPGDALDH1A1GAAKMT2A
SCHEMBL17905124 0.83 AAK1 (0.40) CACNA1BHPGDSMN1; SMN2ALDH1A1GAA
SCHEMBL17905172 0.82 HPGD (0.42) HPGDSMN1; SMN2ALDH1A1GAAKDM4E
SCHEMBL17905652 0.82 OGG1 (0.39) CACNA1BHPGDALDH1A1GAAKMT2A
SCHEMBL17905082 0.81 SMN1; SMN2 (0.42) HPGDSMN1; SMN2ALDH1A1GAAMEN1
SCHEMBL17900963 0.80 SMN1; SMN2 (0.42) HPGDSMN1; SMN2ALDH1A1GAAKDM4E
SCHEMBL17905010 0.80 KMT2A (0.38) CACNA1BHPGDALDH1A1GAAKMT2A

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
EP-3240413-B1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2020-05-13 — — EP disclosed
US-10433555-B2 Picolinamide compounds with fungicidal activity DOW AGROSCIENCES LLC (US) 2019-10-08 — — US disclosed
WO-2016109288-A1 USE OF PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-07-07 — — WO disclosed
WO-2016109289-A1 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 (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-10433555-B2 Picolinamide compounds with fungicidal activity PFAS, CASP2, CYP1A2 CACNA1B 360/4885HPGD 2751/4885SMN1; SMN2 2463/4885

“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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