SCHEMBL17428275

SCHEMBL17428275

C[C@@H]1OC(=O)[C@@H](NC(=O)OC(C)(C)C)COC[C@H](Cc2ccc(C(F)(F)F)cc2)[C@H]1Cc1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
NAAA Q02083 1/20 0.34
RORC P51449 2/20 0.34
SCN9A Q15858 2/20 0.33
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
CCR2 P41597 1/20 0.33

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
SCHEMBL17428264 0.93 KMT2A (0.37) GAANAAALTB4RLTB4R2PPARG
SCHEMBL17428271 0.91 KMT2A (0.38) GAASCN9A
SCHEMBL17428266 0.91 GAA (0.35) GAANAAASCN9APPARGPPARA
SCHEMBL17245232 0.89 CCR2 (0.35) RORCSCN9ACCR2
SCHEMBL17428268 0.89 GAA (0.36) GAANAAASCN9APPARGPPARA
SCHEMBL17428282 0.88 GAA (0.38) GAASCN9A
SCHEMBL17428280 0.87 GAA (0.37) GAASCN9A
SCHEMBL16864922 0.87 GAA (0.39) GAARORCSCN9A
SCHEMBL17428043 0.85 KMT2A (0.41) GAANAAA
SCHEMBL17428247 0.85 KMT2A (0.41) GAANAAA

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 5 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
WO-2016007529-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2016-01-14 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 (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 GAA 1303/4885NAAA 2646/4885RORC 1005/4885

“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.