SCHEMBL17904801

SCHEMBL17904801

C=CC[C@@H](OCc1ccccc1)[C@H](C)OC(=O)[C@H](C)N

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC1A3 P43003 2/20 0.42
▸ SLC1A2 P43004 2/20 0.42
▸ SLC1A1 P43005 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ LTA4H P09960 1/20 0.38
▸ RCE1 Q9Y256 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ SLC15A1 P46059 1/20 0.37
▸ MMP9 P14780 2/20 0.36
▸ MMP8 P22894 2/20 0.36
▸ TSHR P16473 1/20 0.35
▸ FAAH O00519 3/20 0.35
▸ MGLL Q99685 1/20 0.35
▸ HCAR2 Q8TDS4 1/20 0.35

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
SCHEMBL19758142 1.00 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1CYP2C19MEN1
SCHEMBL17896267 1.00 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1CYP2C19MEN1
SCHEMBL17904813 0.82 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1CYP2C19MEN1
SCHEMBL17904838 0.82 CYP2C19 (0.37) CYP2C19MEN1CYP1A2CYP2C9KMT2A
SCHEMBL17905244 0.80 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1CYP2C19MEN1
SCHEMBL17905295 0.79 PPARA (0.43) —
SCHEMBL17896227 0.79 L3MBTL1 (0.41) RCE1MMP9MMP8
SCHEMBL17896173 0.79 PPARA (0.43) —
SCHEMBL19758135 0.79 L3MBTL1 (0.41) RCE1MMP9MMP8
SCHEMBL17904793 0.79 L3MBTL1 (0.41) RCE1MMP9MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20180000085-A1 USE OF PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY CORTEVA AGRISCIENCE LLC 2018-01-04 — — US 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 (2 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 SLC1A3 1360/4885SLC1A2 717/4885SLC1A1 1343/4885
US-20180000085-A1 USE OF PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY PFAS, CYP1A2, CYP51A1 SLC1A3 1541/4885SLC1A2 864/4885SLC1A1 1357/4885

“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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