SCHEMBL17905244

SCHEMBL17905244

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC1A3 P43003 2/20 0.42
▸ SLC1A2 P43004 2/20 0.42
▸ SLC1A1 P43005 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ LTA4H P09960 3/20 0.38
▸ RCE1 Q9Y256 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ SLC15A1 P46059 1/20 0.37
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNB4 P30926 1/20 0.36
▸ CHRNA3 P32297 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MMP9 P14780 1/20 0.36

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
SCHEMBL17904813 0.87 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL21985410 0.84 TSHR (0.39) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL19758142 0.80 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL17896267 0.80 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL17904801 0.80 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL19758147 0.79 L3MBTL1 (0.39) LTA4HRCE1L3MBTL1
SCHEMBL17906533 0.79 L3MBTL1 (0.39) LTA4HRCE1L3MBTL1
SCHEMBL17896190 0.79 L3MBTL1 (0.39) LTA4HRCE1L3MBTL1
SCHEMBL17905254 0.76 MEN1 (0.46) MEN1KMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL20682921 0.75 SLC1A3 (0.47) SLC1A3SLC1A2SLC1A1MEN1KMT2A

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 3 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
WO-2016109289-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY 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 (1 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

“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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