SCHEMBL17428202

SCHEMBL17428202

COc1ccnc(C(=O)N[C@H]2COC[C@H](CC3CC3)[C@@H](Cc3ccc(F)cc3)[C@H](C)OC2=O)c1O

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.32
RIPK1 Q13546 1/20 0.31
HCRTR1 O43613 1/20 0.31
LTC4S Q16873 1/20 0.31
MAPK1 P28482 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SHBG P04278 2/20 0.30
KLKB1 P03952 1/20 0.30
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
TAS1R2 Q8TE23 1/20 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
SCHEMBL17428191 0.92 TAS1R3 (0.31) RIPK1KMT2ATAS1R3TAS1R1TAS1R2
SCHEMBL17428204 0.92 AXL (0.33) AXLRIPK1SHBG
SCHEMBL17428195 0.91 RIPK1 (0.34) AXLRIPK1SHBGKLKB1
SCHEMBL17428158 0.90 AXL (0.31) AXL
SCHEMBL17428199 0.89 RIPK1 (0.33) AXLRIPK1HCRTR1LTC4SSHBG
SCHEMBL16864940 0.88 AXL (0.32) AXLRIPK1HCRTR1LTC4S
SCHEMBL17428157 0.88 AXL (0.30) AXLRIPK1
SCHEMBL17428179 0.88 NPC1 (0.32) MEN1KMT2ATAS1R3TAS1R1TAS1R2
SCHEMBL17428171 0.87 NAAA (0.32) LMNATAS1R3TAS1R1TAS1R2
SCHEMBL16864939 0.86 AXL (0.31) AXLRIPK1

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-9955691-B2 Macrocyclic picolinamides as fungicides DOW AGROSCIENCES LLC (US) 2018-05-01 US disclosed
US-9955691-B2 Macrocyclic picolinamides as fungicides DOW AGROSCIENCES LLC (US) 2018-05-01 US disclosed
US-20160007601-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC 2016-01-14 US disclosed
US-20160007601-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC 2016-01-14 US disclosed
WO-2016007529-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 (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-20160007601-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES CYP4F12, CYP1A2, FKBP2 AXL 2819/4885RIPK1 4127/4885HCRTR1 375/4885

“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.