SCHEMBL16603880

SCHEMBL16603880

CC(C)CO[C@@H]1[C@@H](Cc2ccc(F)cc2)COC[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@H]1C

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.36
GAA P10253 1/20 0.36
KDM4D Q6B0I6 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
CTSD P07339 1/20 0.32
BACE1 P56817 1/20 0.32
CACNA1G O43497 1/20 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
SCHEMBL16603743 0.92 GAA (0.36) GAACTSDBACE1
SCHEMBL16603898 0.89 GAA (0.35) GAACTSDBACE1
SCHEMBL17903383 0.85 KMT2A (0.37) SCN9AGAACTSSCTSK
SCHEMBL17898754 0.84 KMT2A (0.38) SCN9AGAACTSSCTSK
SCHEMBL15370898 0.84 NAAA (0.37) GAA
SCHEMBL19628400 0.83 SCN9A (0.35) SCN9AGAAKDM4DCTSSCTSK
SCHEMBL17899060 0.83 SCN9A (0.35) SCN9AGAAKDM4D
SCHEMBL16595005 0.82 MEN1 (0.31) CTSSCTSK
SCHEMBL16620383 0.82 MEN1 (0.31) CTSSCTSK
SCHEMBL17899061 0.82 SCN9A (0.36) SCN9AGAAKDM4DCTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9439422-B2 Use of macrocyclic picolinamides as fungicides DOW AGROSCIENCES LLC (US) 2016-09-13 US disclosed
US-9439422-B2 Use of macrocyclic picolinamides as fungicides DOW AGROSCIENCES LLC (US) 2016-09-13 US disclosed
US-9179674-B2 Macrocyclic picolinamide compounds with fungicidal activity DOW AGROSCIENCES LLC (US) 2015-11-10 US disclosed
US-9179674-B2 Macrocyclic picolinamide compounds with fungicidal activity DOW AGROSCIENCES LLC (US) 2015-11-10 US disclosed
WO-2015050819-A1 USE OF MACROCYLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2015-04-09 WO disclosed
WO-2015050818-A1 MACROCYCLIC PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2015-04-09 WO disclosed
US-20150094339-A1 MACROCYCLIC PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC 2015-04-02 US disclosed
US-20150094340-A1 USE OF MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC 2015-04-02 US disclosed
US-20150094339-A1 MACROCYCLIC PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC 2015-04-02 US disclosed
US-20150094340-A1 USE OF MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC 2015-04-02 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-20150094339-A1 MACROCYCLIC PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY FKBP1A, FKBP14, FKBP2 SCN9A 1505/4885GAA 972/4885KDM4D 3321/4885
US-20150094340-A1 USE OF MACROCYCLIC PICOLINAMIDES AS FUNGICIDES FKBP14, CYP4F12, CYP1A2 SCN9A 1389/4885GAA 2561/4885KDM4D 3042/4885

“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.