SCHEMBL17428191

SCHEMBL17428191

COc1ccnc(C(=O)N[C@H]2COC[C@H](CC3CC3)[C@@H](Cc3ccccc3)[C@H](C)OC2=O)c1O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.31
TAS1R1 Q7RTX1 3/20 0.31
TAS1R2 Q8TE23 1/20 0.31
RIPK1 Q13546 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
CASP1 P29466 1/20 0.30
KMT2A Q03164 1/20 0.30
DRD2 P14416 1/20 0.30
CHRM4 P08173 1/20 0.30
NAAA Q02083 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
SCHEMBL17428163 0.94 SHBG (0.33) RIPK1CASP1KMT2A
SCHEMBL17418696 0.94 SHBG (0.33) RIPK1CASP1KMT2A
SCHEMBL17428202 0.92 AXL (0.32) TAS1R3TAS1R1TAS1R2RIPK1KMT2A
SCHEMBL17428177 0.92 KMT2A (0.32) RIPK1KMT2A
SCHEMBL17428186 0.90 NAAA (0.35) NAAA
SCHEMBL17245190 0.90 TAS1R3 (0.35) TAS1R3TAS1R1TAS1R2RIPK1
SCHEMBL17428122 0.90 MEN1 (0.31) KMT2A
SCHEMBL17428189 0.89 SHBG (0.32) RIPK1SMN1; SMN2KMT2A
SCHEMBL17428195 0.89 RIPK1 (0.34) RIPK1
SCHEMBL17428185 0.89 NAAA (0.32) RIPK1NAAA

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 4 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

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 TAS1R3 1922/4885TAS1R1 2003/4885TAS1R2 1713/4885

“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.