SCHEMBL17245243

SCHEMBL17245243

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

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.34
CCR2 P41597 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NAAA Q02083 1/20 0.33
SCN9A Q15858 2/20 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
SCHEMBL17245245 0.93 KMT2A (0.39) L3MBTL1SCN9A
SCHEMBL17245232 0.91 CCR2 (0.35) CCR2SCN9A
SCHEMBL17245224 0.91 KMT2A (0.40) CCR2L3MBTL1SCN9A
SCHEMBL17428266 0.89 GAA (0.35) EPHX2CCR2NR1H4NAAASCN9A
SCHEMBL17245221 0.87 CCR2 (0.35) CCR2L3MBTL1NAAASCN9A
SCHEMBL17245219 0.86 CCR2 (0.34) CCR2L3MBTL1NAAA
SCHEMBL17251664 0.85 SCN9A (0.32) SCN9A
SCHEMBL17245240 0.85 SCN9A (0.38) L3MBTL1NAAASCN9A
SCHEMBL17245217 0.84 KMT2A (0.45) L3MBTL1NAAASCN9A
SCHEMBL17245242 0.82 KMT2A (0.41) L3MBTL1NAAASCN9A

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
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
WO-2015171408-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2015-11-12 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-20170055528-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES CYP4F12, CYP1A2, CYP4F2 EPHX2 1111/4885CCR2 4081/4885NR1H4 1775/4885
US-20150322051-A1 Macrocyclic picolinamides as fungicides CYP4F12, CYP1A2, FKBP2 EPHX2 1246/4885CCR2 3889/4885NR1H4 1754/4885

“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.