SCHEMBL17900563

SCHEMBL17900563

Cc1ccc(O[C@H](c2ccc(F)cc2)[C@H](C)OC(=O)[C@H](C)N)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 1/20 0.35
▸ TAS1R1 Q7RTX1 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ P2RX7 Q99572 1/20 0.34
▸ RORC P51449 4/20 0.33
▸ CARM1 Q86X55 1/20 0.33
▸ PRMT6 Q96LA8 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ MRGPRX4 Q96LA9 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL17900665 0.93 TAS1R3 (0.40) TAS1R3TAS1R1RORCNPSR1MRGPRX4
SCHEMBL17900631 0.89 RORC (0.43) TAS1R3TAS1R1ALDH1A1PKMRORC
SCHEMBL17900564 0.84 TAS1R3 (0.35) TAS1R3TAS1R1ALDH1A1PKM
SCHEMBL17900673 0.81 ALDH1A1 (0.42) ALDH1A1CARM1PRMT6NPSR1TDP1
SCHEMBL17900548 0.81 MEN1 (0.39) TAS1R3TAS1R1ALDH1A1
SCHEMBL17900560 0.81 TAS1R3 (0.38) TAS1R3TAS1R1ALDH1A1NPSR1CYP2C9
SCHEMBL17900769 0.78 PPARA (0.48) ALDH1A1PKMRORCCYP1A2CYP3A4
SCHEMBL17900663 0.78 PPARA (0.48) ALDH1A1PKMRORCCYP1A2CYP3A4
SCHEMBL17900630 0.78 ALDH1A1 (0.46) ALDH1A1NPSR1CYP3A4TDP1
SCHEMBL17900662 0.78 ALDH1A1 (0.46) ALDH1A1NPSR1CYP3A4TDP1

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
EP-3255991-B1 PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2020-09-30 — — EP 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 (3 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-20180000080-A1 PICOLINAMIDES AS FUNGICIDES CYP1A2, CYP4F12, FKBP2 TAS1R3 1246/4885TAS1R1 1444/4885ALDH1A1 1130/4885
US-20180002288-A1 USE OF PICOLINAMIDES AS FUNGICIDES PFAS, CYP1A2, CYP4F12 TAS1R3 1121/4885TAS1R1 1325/4885ALDH1A1 1067/4885
US-10173981-B2 Picolinamides as fungicides CYP1A2, CYP4F12, FKBP2 TAS1R3 1246/4885TAS1R1 1444/4885ALDH1A1 1130/4885

“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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