SCHEMBL17427115

SCHEMBL17427115

COc1ccnc(C(=O)N[C@H]2CCOC[C@@H](CCC(C)C)[C@H](C)OC2=O)c1O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.34
CTSK P43235 1/20 0.32
CNR2 P34972 4/20 0.32
CNR1 P21554 1/20 0.32
RIPK1 Q13546 1/20 0.31
TAS1R3 Q7RTX0 3/20 0.31
TAS1R1 Q7RTX1 3/20 0.31
TAS1R2 Q8TE23 1/20 0.31
PDE10A Q9Y233 1/20 0.30
PDCD1 Q15116 2/20 0.30
CD274 Q9NZQ7 2/20 0.30

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
SCHEMBL19088918 0.93 PDE4D (0.34) PDE4DCTSKCNR2CNR1TAS1R3
SCHEMBL17898767 0.90 PDE4D (0.33) PDE4DTAS1R3TAS1R1TAS1R2
SCHEMBL17427125 0.89 PDE4D (0.33) PDE4DCNR2RIPK1TAS1R3TAS1R1
SCHEMBL19084190 0.89 TAS1R3 (0.35) CNR2TAS1R3TAS1R1TAS1R2PDE10A
SCHEMBL19088919 0.87 PDE4D (0.34) PDE4DCTSKCNR2CNR1TAS1R3
SCHEMBL17427102 0.87 PDE4D (0.33) PDE4DRIPK1
SCHEMBL17428168 0.87
SCHEMBL17417044 0.86 RIPK1 (0.36) PDE4DRIPK1TAS1R3TAS1R1TAS1R2
SCHEMBL19628457 0.86 PDE4D (0.33) PDE4DCTSKCNR2TAS1R3TAS1R1
SCHEMBL17418875 0.85 F2R (0.31)

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
US-20170273303-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES CORTEVA AGRISCIENCE LLC 2017-09-28 US disclosed
US-20170273303-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES CORTEVA AGRISCIENCE LLC 2017-09-28 US disclosed
US-9686984-B2 Macrocyclic picolinamides as fungicides DOW AGROSCIENCES LLC (US) 2017-06-27 US disclosed
US-9686984-B2 Macrocyclic picolinamides as fungicides DOW AGROSCIENCES LLC (US) 2017-06-27 US disclosed
US-20160007602-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC 2016-01-14 US disclosed
US-20160007602-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC 2016-01-14 US disclosed
WO-2016007531-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2016-01-14 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-20170273303-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES CYP4F12, CYP1A2, FKBP2 PDE4D 2017/4885CTSK 2613/4885CNR2 2355/4885
US-20160007602-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES CYP4F12, CYP1A2, FKBP2 PDE4D 2017/4885CTSK 2613/4885CNR2 2355/4885

“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.