SCHEMBL17900707

SCHEMBL17900707

C[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H](C)[C@H](Oc1ccc(Cl)cc1Cl)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ PPARA Q07869 1/20 0.41
▸ RORC P51449 2/20 0.40
▸ MAPT P10636 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ AAK1 Q2M2I8 1/20 0.39
▸ PKM P14618 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ S1PR3 Q99500 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 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
SCHEMBL17900537 1.00 KDM4E (0.45) KDM4EALDH1A1HPGDHTTPPARA
SCHEMBL17900546 0.91 KDM4E (0.45) KDM4EALDH1A1HPGDHTTRORC
SCHEMBL17900639 0.90 ALDH1A1 (0.44) KDM4EALDH1A1HPGDHTTMAPT
SCHEMBL17900669 0.86 CNR1 (0.41) KDM4EALDH1A1HPGDHTTMAPT
SCHEMBL17900667 0.86 S1PR3 (0.44) KDM4EALDH1A1HPGDHTTMAPT
SCHEMBL17900715 0.85 AAK1 (0.41) KDM4EALDH1A1HPGDHTTMAPT
SCHEMBL17905172 0.84 HPGD (0.42) KDM4EALDH1A1HPGDHTTMAPT
SCHEMBL17900706 0.82 EPHX2 (0.39) KDM4EALDH1A1HPGDHTTMAPT
SCHEMBL17904998 0.82 CTSK (0.43) KDM4EALDH1A1HPGDHTTMAPT
SCHEMBL17900650 0.82 CTSK (0.43) KDM4EALDH1A1HPGDHTTMAPT

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-20180000080-A1 PICOLINAMIDES AS FUNGICIDES CORTEVA AGRISCIENCE LLC 2018-01-04 — — US disclosed
US-20180002288-A1 USE OF 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-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
WO-2016109288-A1 USE OF 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 KDM4E 2492/4885ALDH1A1 1350/4885HPGD 2751/4885
US-20180000080-A1 PICOLINAMIDES AS FUNGICIDES CYP1A2, CYP4F12, FKBP2 KDM4E 2568/4885ALDH1A1 1130/4885HPGD 2833/4885
US-20180002288-A1 USE OF PICOLINAMIDES AS FUNGICIDES PFAS, CYP1A2, CYP4F12 KDM4E 2775/4885ALDH1A1 1067/4885HPGD 2554/4885
US-10173981-B2 Picolinamides as fungicides CYP1A2, CYP4F12, FKBP2 KDM4E 2568/4885ALDH1A1 1130/4885HPGD 2833/4885

“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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