SCHEMBL17900650

SCHEMBL17900650

C[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H](C)[C@H](Oc1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 3/20 0.43
▸ CTSS P25774 1/20 0.43
▸ MAPT P10636 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ RECQL P46063 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ GLA P06280 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ GABRB1 P18505 1/20 0.41
▸ GABRB2 P47870 1/20 0.41
▸ EPHX2 P34913 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ ATM Q13315 1/20 0.38

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
SCHEMBL17905183 1.00 CTSK (0.43) CTSKCTSSMAPTALDH1A1MEN1
SCHEMBL17904998 1.00 CTSK (0.43) CTSKCTSSMAPTALDH1A1MEN1
SCHEMBL17895086 0.93 NR3C1 (0.42) CTSKCTSSMAPTALDH1A1MEN1
SCHEMBL17895088 0.93 NR3C1 (0.42) CTSKCTSSMAPTALDH1A1MEN1
SCHEMBL17895087 0.93 NR3C1 (0.42) CTSKCTSSMAPTALDH1A1MEN1
SCHEMBL17900764 0.93 CTSK (0.41) CTSKCTSSMAPTALDH1A1MEN1
SCHEMBL17895332 0.92 EPHX2 (0.39) CTSKCTSSMAPTALDH1A1MEN1
SCHEMBL17895334 0.92 EPHX2 (0.39) CTSKCTSSMAPTALDH1A1MEN1
SCHEMBL17900551 0.92 CTSK (0.42) CTSKCTSSMAPTALDH1A1MEN1
SCHEMBL17895331 0.92 EPHX2 (0.39) CTSKCTSSMAPTALDH1A1MEN1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3255991-B1 PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2020-09-30 — — EP disclosed
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
US-10173981-B2 Picolinamides as fungicides DOW AGROSCIENCES LLC (US) 2019-01-08 — — US disclosed
US-20180002288-A1 USE OF PICOLINAMIDES AS FUNGICIDES CORTEVA AGRISCIENCE LLC 2018-01-04 — — US disclosed
US-20180000080-A1 PICOLINAMIDES AS FUNGICIDES CORTEVA AGRISCIENCE LLC 2018-01-04 — — US disclosed
WO-2016109305-A1 USE OF PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2016-07-07 — — WO 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
WO-2016109304-A1 PICOLINAMIDES AS FUNGICIDES 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 (4 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 CTSK 2808/4885CTSS 1597/4885MAPT 1306/4885
US-20180000080-A1 PICOLINAMIDES AS FUNGICIDES CYP1A2, CYP4F12, FKBP2 CTSK 2728/4885CTSS 1587/4885MAPT 1756/4885
US-20180002288-A1 USE OF PICOLINAMIDES AS FUNGICIDES PFAS, CYP1A2, CYP4F12 CTSK 2817/4885CTSS 1293/4885MAPT 2243/4885
US-10173981-B2 Picolinamides as fungicides CYP1A2, CYP4F12, FKBP2 CTSK 2728/4885CTSS 1587/4885MAPT 1756/4885

“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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