SCHEMBL17896190

SCHEMBL17896190

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 4/20 0.39
▸ POLB P06746 1/20 0.36
▸ RCE1 Q9Y256 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ NCOR2 Q9Y618 1/20 0.35
▸ SYK P43405 1/20 0.34
▸ ITGA4 P13612 1/20 0.34
▸ ITGB7 P26010 1/20 0.34
▸ ABCB1 P08183 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ LTA4H P09960 1/20 0.33

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
SCHEMBL19758147 1.00 L3MBTL1 (0.39) L3MBTL1POLBRCE1HDAC3HDAC1
SCHEMBL17906533 1.00 L3MBTL1 (0.39) L3MBTL1POLBRCE1HDAC3HDAC1
SCHEMBL17896246 0.90 L3MBTL1 (0.38) L3MBTL1POLBHDAC3HDAC1HDAC2
SCHEMBL19760188 0.90 L3MBTL1 (0.38) L3MBTL1POLBHDAC3HDAC1HDAC2
SCHEMBL19758136 0.90 L3MBTL1 (0.38) L3MBTL1POLBHDAC3HDAC1HDAC2
SCHEMBL19758135 0.84 L3MBTL1 (0.41) L3MBTL1POLBRCE1HDAC3HDAC1
SCHEMBL17904793 0.84 L3MBTL1 (0.41) L3MBTL1POLBRCE1HDAC3HDAC1
SCHEMBL17896227 0.84 L3MBTL1 (0.41) L3MBTL1POLBRCE1HDAC3HDAC1
SCHEMBL17904973 0.80 — —
SCHEMBL17905244 0.79 SLC1A3 (0.42) L3MBTL1RCE1LTA4H

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 8 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
US-20180000075-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY CORTEVA AGRISCIENCE LLC 2018-01-04 — — US disclosed
EP-3240412-A1 USE OF PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY Dow Agrosciences LLC (US) 2017-11-08 — — EP disclosed
EP-3240413-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY Dow Agrosciences LLC (US) 2017-11-08 — — EP 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 (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-20180000075-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY PFAS, CASP2, CYP1A2 L3MBTL1 4518/4885POLB 3842/4885RCE1 387/4885
US-10433555-B2 Picolinamide compounds with fungicidal activity PFAS, CASP2, CYP1A2 L3MBTL1 4518/4885POLB 3842/4885RCE1 387/4885
US-20180000085-A1 USE OF PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY PFAS, CYP1A2, CYP51A1 L3MBTL1 4353/4885POLB 3932/4885RCE1 309/4885

“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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