SCHEMBL17245233

SCHEMBL17245233

CC(C)CC[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H](C)[C@@H]1C1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.37
CHRM1 P11229 2/20 0.37
GAA P10253 1/20 0.35
NAAA Q02083 2/20 0.35
CCR2 P41597 1/20 0.33
F2R P25116 1/20 0.33
BACE1 P56817 3/20 0.32
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
PRSS1 P07477 1/20 0.32
BTK Q06187 1/20 0.32

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
SCHEMBL19084176 0.90 GAA (0.39) GAANAAACCR2BACE1F2
SCHEMBL17428278 0.90 GAA (0.39) CHRM2CHRM1GAANAAACCR2
SCHEMBL18583407 0.88 GAA (0.38) GAANAAACCR2BACE1F2
SCHEMBL16605375 0.84 GAA (0.35) GAANAAACCR2BACE1F2
SCHEMBL16604065 0.82 GAA (0.34) GAANAAACCR2F2F10
SCHEMBL16605376 0.82 GAA (0.34) GAANAAACCR2F2F10
SCHEMBL19084177 0.81 GAA (0.41) GAANAAABACE1F2F10
SCHEMBL17245220 0.81 KMT2A (0.43) NAAAF2RBACE1
SCHEMBL16605373 0.80 KMT2A (0.37) NAAABACE1
SCHEMBL17245218 0.80 KMT2A (0.41) NAAABACE1

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-9700047-B2 Macrocyclic picolinamides as fungicides DOW AGROSCIENCES LLC (US) 2017-07-11 US disclosed
US-9700047-B2 Macrocyclic picolinamides as fungicides DOW AGROSCIENCES LLC (US) 2017-07-11 US disclosed
US-20170055528-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC 2017-03-02 US disclosed
US-20170055528-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC 2017-03-02 US disclosed
WO-2015171408-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2015-11-12 WO disclosed
US-20150322051-A1 Macrocyclic picolinamides as fungicides DOW AGROSCIENCES LLC 2015-11-12 US disclosed
US-20150322051-A1 Macrocyclic picolinamides as fungicides DOW AGROSCIENCES LLC 2015-11-12 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 (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-20170055528-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES CYP4F12, CYP1A2, CYP4F2 CHRM2 2949/4885CHRM1 3806/4885GAA 1084/4885
US-20150322051-A1 Macrocyclic picolinamides as fungicides CYP4F12, CYP1A2, FKBP2 CHRM2 2996/4885CHRM1 3603/4885GAA 1303/4885

“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.