SCHEMBL15844237

SCHEMBL15844237

COC(=O)C(=CBr)NC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.35
CA12 O43570 3/20 0.33
CA14 Q9ULX7 3/20 0.33
CA2 P00918 2/20 0.33
NPC1 O15118 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CTSK P43235 4/20 0.32
CA1 P00915 2/20 0.32
CA7 P43166 2/20 0.32
MIF P14174 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL15844236 1.00 DGAT1 (0.35) DGAT1CA12CA14CA2NPC1
SCHEMBL17245099 0.85 NPC1 (0.35) DGAT1CA12CA14CA2NPC1
SCHEMBL5787433 0.85 DGAT1 (0.38) DGAT1CA12CA14CA2NPC1
SCHEMBL5787436 0.85 DGAT1 (0.38) DGAT1CA12CA14CA2NPC1
SCHEMBL16594102 0.83 CTSK (0.37) DGAT1CA2NPC1RECQLRAB9A
SCHEMBL16594101 0.83 CTSK (0.37) DGAT1CA2NPC1RECQLRAB9A
SCHEMBL23049578 0.81 DGAT1 (0.35) DGAT1CA12CA14CA2NPC1
SCHEMBL2373368 0.81 DGAT1 (0.35) DGAT1CA12CA14CA2NPC1
SCHEMBL2367439 0.81 DGAT1 (0.35) DGAT1CA12CA14CA2NPC1
SCHEMBL16867603 0.79 ATM (0.39) CA12CA2RAB9ACTSKCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3240418-A1 USE OF MACROCYCLIC PICOLINAMIDES AS FUNGICIDES Dow Agrosciences LLC (US) 2017-11-08 EP disclosed
EP-3240417-A1 MACROCYCLIC PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY Dow Agrosciences LLC (US) 2017-11-08 EP disclosed
EP-2938190-B1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2017-11-08 EP disclosed
US-20170273306-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2017-09-28 US disclosed
WO-2017116939-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2017-07-06 WO disclosed
US-9681664-B2 Macrocyclic picolinamides as fungicides DOW AGROSCIENCES LLC (US) 2017-06-20 US disclosed
WO-2016109290-A1 MACROCYCLIC PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-07-07 WO disclosed
WO-2016109291-A1 USE OF MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2016-07-07 WO disclosed
EP-2938190-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES Dow AgroSciences LLC (US) 2015-11-04 EP disclosed
US-20140187588-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES CORTEVA AGRISCIENCE LLC 2014-07-03 US disclosed
WO-2014105817-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2014-07-03 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-20140187588-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES FKBP14, FKBP2, CYP4F12 DGAT1 3470/4885CA12 1224/4885CA14 1879/4885
US-20170273306-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES FKBP14, FKBP2, CYP4F12 DGAT1 3470/4885CA12 1224/4885CA14 1879/4885

“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.