SCHEMBL21339230

SCHEMBL21339230

CC(C)[C@H](N)C(=O)O[C@@H](C)[C@@H](C)c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 4/20 0.40
▸ DPP9 Q86TI2 4/20 0.40
▸ DPP7 Q9UHL4 4/20 0.40
▸ DPP8 Q6V1X1 3/20 0.40
▸ KCNH2 Q12809 2/20 0.40
▸ AOC3 Q16853 1/20 0.38
▸ MME P08473 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KLK7 P49862 1/20 0.35
▸ HTT P42858 2/20 0.35
▸ ADRB2 P07550 1/20 0.35
▸ ADRB1 P08588 1/20 0.35
▸ ADRB3 P13945 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ IDO1 P14902 1/20 0.34
▸ TDO2 P48775 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34

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
SCHEMBL21338898 1.00 DPP4 (0.40) DPP4DPP9DPP7DPP8KCNH2
SCHEMBL17902422 0.88 AOC3 (0.38) DPP4DPP9DPP7DPP8KCNH2
SCHEMBL21338900 0.87 DPP4 (0.39) DPP4DPP9DPP7DPP8KCNH2
SCHEMBL21339027 0.87 DPP4 (0.39) DPP4DPP9DPP7DPP8KCNH2
SCHEMBL22041429 0.87 DPP4 (0.39) DPP4DPP9DPP7DPP8KCNH2
SCHEMBL21339034 0.87 DPP4 (0.39) DPP4DPP9DPP7DPP8KCNH2
SCHEMBL21338895 0.87 DPP4 (0.39) DPP4DPP9DPP7DPP8KCNH2
SCHEMBL28265840 0.84 AOC3 (0.40) DPP4DPP9DPP7DPP8KCNH2
SCHEMBL15087385 0.80 MME (0.39) DPP4DPP9DPP7DPP8KCNH2
SCHEMBL21339246 0.79 DPP8 (0.39) DPP4DPP9DPP7DPP8KCNH2

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
US-20230049481-A1 PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2023-02-16 — — US disclosed
US-11155520-B2 Picolinamides as fungicides DOW AGROSCIENCES LLC 2021-10-26 — — US disclosed
US-20200399222-A1 PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2020-12-24 — — US disclosed
US-20190276404-A1 PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2019-09-12 — — US disclosed
WO-2019173665-A1 PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2019-09-12 — — 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-20200399222-A1 PICOLINAMIDES AS FUNGICIDES CYP1A2, CYP4F12, FKBP2 DPP4 557/4885DPP9 322/4885DPP7 146/4885
US-20190276404-A1 PICOLINAMIDES AS FUNGICIDES CYP1A2, CYP4F12, FKBP2 DPP4 557/4885DPP9 322/4885DPP7 146/4885
US-20230049481-A1 PICOLINAMIDES AS FUNGICIDES CYP1A2, CYP4F12, FKBP2 DPP4 557/4885DPP9 322/4885DPP7 146/4885
US-11155520-B2 Picolinamides as fungicides CYP1A2, CYP4F12, FKBP2 DPP4 557/4885DPP9 322/4885DPP7 146/4885

“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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