SCHEMBL17900669

SCHEMBL17900669

C[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H](C)[C@H](Oc1cccc(Cl)c1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 2/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ CTSL P07711 1/20 0.41
▸ HTT P42858 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ OGG1 O15527 1/20 0.40
▸ SLC6A4 P31645 1/20 0.39
▸ S1PR3 Q99500 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ GABRB1 P18505 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ CTSS P25774 1/20 0.38
▸ CTSK P43235 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
SCHEMBL17900650 0.90 CTSK (0.43) HTTKDM4EHPGDALDH1A1GLA
SCHEMBL17905183 0.90 CTSK (0.43) HTTKDM4EHPGDALDH1A1GLA
SCHEMBL17904998 0.90 CTSK (0.43) HTTKDM4EHPGDALDH1A1GLA
SCHEMBL17900667 0.90 S1PR3 (0.44) CNR1CNR2HTTKDM4EHPGD
SCHEMBL17900708 0.88 S1PR3 (0.41) CNR1CNR2HTTKDM4EHPGD
SCHEMBL17900751 0.88 CTSS (0.41) CNR1CNR2HTTKDM4EHPGD
SCHEMBL17900537 0.86 KDM4E (0.45) HTTKDM4EHPGDALDH1A1S1PR3
SCHEMBL17900707 0.86 KDM4E (0.45) HTTKDM4EHPGDALDH1A1S1PR3
SCHEMBL17900641 0.86 GPR139 (0.41) KDM4EHPGDALDH1A1GLAGAA
SCHEMBL17900763 0.86 CTSK (0.42) HTTKDM4EHPGDALDH1A1GLA

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 9 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-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
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 (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 CNR1 3515/4885CNR2 3013/4885CTSL 619/4885
US-20180000080-A1 PICOLINAMIDES AS FUNGICIDES CYP1A2, CYP4F12, FKBP2 CNR1 3333/4885CNR2 2517/4885CTSL 679/4885
US-20180002288-A1 USE OF PICOLINAMIDES AS FUNGICIDES PFAS, CYP1A2, CYP4F12 CNR1 3190/4885CNR2 2537/4885CTSL 597/4885
US-10173981-B2 Picolinamides as fungicides CYP1A2, CYP4F12, FKBP2 CNR1 3333/4885CNR2 2517/4885CTSL 679/4885

“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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