SCHEMBL17900768

SCHEMBL17900768

CC(C)CO[C@@H](c1ccccc1)[C@H](C)OC(=O)[C@H](C)N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ KIF11 P52732 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ RAB9A P51151 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ CTRB1 P17538 2/20 0.35
▸ CACNA1F O60840 1/20 0.34
▸ CACNA1D Q01668 1/20 0.34
▸ CACNA1S Q13698 1/20 0.34
▸ CACNA1C Q13936 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ ADRA2C P18825 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ KDM4E B2RXH2 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
SCHEMBL17900767 1.00 ALDH1A1 (0.41) ALDH1A1TSHRCYP1A2CYP2D6PKM
SCHEMBL21985432 0.88 FFAR1 (0.43) ALDH1A1CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL22474225 0.82 TSHR (0.39) ALDH1A1TSHRCYP1A2CYP2D6PKM
SCHEMBL22474221 0.82 TSHR (0.39) ALDH1A1TSHRCYP1A2CYP2D6PKM
SCHEMBL17900617 0.81 PTGIR (0.40) TSHRCYP1A2CYP2D6
SCHEMBL17900661 0.79 ALOX5 (0.39) ALDH1A1CYP1A2PKMKMT2ALMNA
SCHEMBL17900618 0.79 ALOX5 (0.39) ALDH1A1CYP1A2PKMKMT2ALMNA
SCHEMBL17900619 0.79 ALOX5 (0.39) ALDH1A1CYP1A2PKMKMT2ALMNA
SCHEMBL17905251 0.78 SLC1A3 (0.41) ALDH1A1TSHRPKMKMT2ACTRB1
SCHEMBL21339269 0.77 KMT2A (0.43) ALDH1A1CYP1A2CYP2D6PKMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 ALDH1A1 1350/4885TSHR 3436/4885CYP1A2 3/4885
US-20180000080-A1 PICOLINAMIDES AS FUNGICIDES CYP1A2, CYP4F12, FKBP2 ALDH1A1 1130/4885TSHR 2350/4885CYP1A2 1/4885
US-20180002288-A1 USE OF PICOLINAMIDES AS FUNGICIDES PFAS, CYP1A2, CYP4F12 ALDH1A1 1067/4885TSHR 2724/4885CYP1A2 2/4885
US-10173981-B2 Picolinamides as fungicides CYP1A2, CYP4F12, FKBP2 ALDH1A1 1130/4885TSHR 2350/4885CYP1A2 1/4885

“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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