SCHEMBL16865283

SCHEMBL16865283

CCCC[C@H]1[C@H](C)OC(=O)[C@@H](NC(=O)OC(C)(C)C)CCC[C@@H]1OCCCC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.34
GAA P10253 1/20 0.33
CTSD P07339 5/20 0.33
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
BACE1 P56817 3/20 0.31

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
SCHEMBL16867602 0.93 NAAA (0.37) NAAAGAACTSDCHRM2CHRM1
SCHEMBL16864944 0.88 GAA (0.37) GAACTSDBACE1
SCHEMBL16865263 0.85 NAAA (0.37) NAAAGAACTSDCHRM2CHRM1
SCHEMBL16865260 0.82 GAA (0.38) NAAAGAACTSDCHRM2CHRM1
SCHEMBL16859437 0.82 NAAA (0.35) NAAAGAACTSDBACE1
SCHEMBL16859435 0.82 NAAA (0.35) NAAAGAACTSDBACE1
SCHEMBL16859436 0.82 NAAA (0.35) NAAAGAACTSDBACE1
SCHEMBL16865267 0.82 KMT2A (0.41) NAAA
SCHEMBL16865256 0.81 GAA (0.34) NAAAGAACTSD
SCHEMBL16865246 0.81 KMT2A (0.38) NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9549555-B2 Macrocyclic picolinamide compounds with fungicidal activity DOW AGROSCIENCES LLC (US) 2017-01-24 US disclosed
US-9549555-B2 Macrocyclic picolinamide compounds with fungicidal activity DOW AGROSCIENCES LLC (US) 2017-01-24 US disclosed
US-9247741-B2 Use of macrocyclic picolinamides as fungicides DOW AGROSCIENCES LLC (US) 2016-02-02 US disclosed
US-9247741-B2 Use of macrocyclic picolinamides as fungicides DOW AGROSCIENCES LLC (US) 2016-02-02 US disclosed
US-20150183759-A1 MACROCYCLIC PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC 2015-07-02 US disclosed
US-20150181867-A1 USE OF MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC 2015-07-02 US disclosed
US-20150181867-A1 USE OF MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC 2015-07-02 US disclosed
WO-2015100182-A1 USE OF MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2015-07-02 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-20150183759-A1 MACROCYCLIC PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY CYP51A1, PFAS, AADAC NAAA 587/4885GAA 1379/4885CTSD 1416/4885
US-20150181867-A1 USE OF MACROCYCLIC PICOLINAMIDES AS FUNGICIDES FKBP14, CYP4F12, CYP1A2 NAAA 1708/4885GAA 2561/4885CTSD 2050/4885

“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.