SCHEMBL17245232

SCHEMBL17245232

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(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.35
RORC P51449 2/20 0.35
SCN9A Q15858 2/20 0.34

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
SCHEMBL17245224 0.93 KMT2A (0.40) CCR2SCN9A
SCHEMBL17245242 0.91 KMT2A (0.41) SCN9A
SCHEMBL17245243 0.91 EPHX2 (0.34) CCR2SCN9A
SCHEMBL17245221 0.89 CCR2 (0.35) CCR2SCN9A
SCHEMBL17428275 0.89 GAA (0.36) CCR2RORCSCN9A
SCHEMBL17245219 0.88 CCR2 (0.34) CCR2
SCHEMBL17245235 0.88 KMT2A (0.34) SCN9A
SCHEMBL18403246 0.86 KMT2A (0.36) SCN9A
SCHEMBL16865249 0.86 KMT2A (0.36) SCN9A
SCHEMBL17245217 0.86 KMT2A (0.45) SCN9A

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
WO-2015171408-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2015-11-12 WO 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

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 CCR2 4081/4885RORC 822/4885SCN9A 1707/4885
US-20150322051-A1 Macrocyclic picolinamides as fungicides CYP4F12, CYP1A2, FKBP2 CCR2 3889/4885RORC 1005/4885SCN9A 1848/4885

“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.