SCHEMBL17901648

SCHEMBL17901648

CC(C)CCOC[C@@H](Cc1ccccc1)[C@H](C)OC(=O)[C@H](C)N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 3/20 0.41
▸ RNPEP Q9H4A4 3/20 0.41
▸ DNPEP Q9ULA0 3/20 0.41
▸ LAP3 P28838 3/20 0.40
▸ CTRB1 P17538 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ ALPI P09923 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ XIAP P98170 1/20 0.37
▸ SLC7A5 Q01650 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ TAAR1 Q96RJ0 2/20 0.36
▸ MAOA P21397 1/20 0.36
▸ SLC6A2 P23975 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
SCHEMBL17901387 0.88 TRPA1 (0.34) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL17901431 0.86 SLC1A1 (0.46) CTRB1ALDH1A1MEN1KMT2AALPI
SCHEMBL17901642 0.84 ALPI (0.47) ANPEPLAP3CTRB1MEN1KMT2A
SCHEMBL17901392 0.84 LMNA (0.43) ANPEPLAP3ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL17892908 0.82 LMNA (0.42) ANPEPLAP3ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL28617863 0.82 LMNA (0.42) ANPEPLAP3ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL17892911 0.82 LMNA (0.42) ANPEPLAP3ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL28617860 0.82 LMNA (0.42) ANPEPLAP3ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL17892909 0.82 LMNA (0.42) ANPEPLAP3ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL17892819 0.82 LMNA (0.42) ANPEPLAP3ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3240408-B1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2020-04-08 — — EP disclosed
US-20190359557-A1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2019-11-28 — — US disclosed
US-10252989-B2 Picolinamides with fungicidal activity DOW AGROSCIENCES LLC (US) 2019-04-09 — — US disclosed
US-10173971-B2 Picolinamides with fungicidal activity DOW AGROSCIENCES LLC (US) 2019-01-08 — — US disclosed
US-20180037541-A1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY CORTEVA AGRISCIENCE LLC 2018-02-08 — — US disclosed
WO-2016109300-A1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-07-07 — — WO disclosed
WO-2016109301-A1 PICOLINAMIDES 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-20180037541-A1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY CYP51A1, CYP1A2, FKBP14 ANPEP 118/4885RNPEP 188/4885DNPEP 227/4885
US-20190359557-A1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY CYP51A1, CYP1A2, FKBP14 ANPEP 118/4885RNPEP 188/4885DNPEP 227/4885
US-10173971-B2 Picolinamides with fungicidal activity CYP51A1, CYP1A2, FKBP14 ANPEP 118/4885RNPEP 188/4885DNPEP 227/4885
US-10252989-B2 Picolinamides with fungicidal activity CYP51A1, CYP1A2, FKBP14 ANPEP 118/4885RNPEP 188/4885DNPEP 227/4885

“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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