Sugi Predict

Sugi Predict / Compounds / SCHEMBL16865253

SCHEMBL16865253

SCHEMBL16865253

Cc1ccc(O[C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H](C)[C@@H]2Cc2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ NAAA Q02083 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ MAOB P27338 1/20 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
SCHEMBL18403247 1.00 KMT2A (0.40) KMT2AL3MBTL1NAAAMEN1CYP1A2
SCHEMBL16865259 0.92 OPRK1 (0.33) KMT2AL3MBTL1
SCHEMBL18403248 0.84 KMT2A (0.41) KMT2AL3MBTL1NAAA
SCHEMBL16865287 0.84 KMT2A (0.41) KMT2AL3MBTL1NAAA
SCHEMBL16865268 0.84 KMT2A (0.41) KMT2AL3MBTL1NAAABACE1
SCHEMBL17245217 0.84 KMT2A (0.45) KMT2AL3MBTL1NAAA
SCHEMBL16865261 0.84 KMT2A (0.41) KMT2AL3MBTL1NAAABACE1
SCHEMBL16604080 0.83 KMT2A (0.38) KMT2AL3MBTL1NAAAKDM1AMAOB
SCHEMBL16865246 0.83 KMT2A (0.38) KMT2AL3MBTL1NAAAKDM1AMAOB
SCHEMBL16864930 0.82 KMT2A (0.39) KMT2AL3MBTL1KDM1AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9549555-B2 Macrocyclic picolinamide compounds with fungicidal activity DOW AGROSCIENCES LLC (US) 2017-01-24 — — US disclosed
US-9549555-B2 Macrocyclic picolinamide compounds with fungicidal activity DOW AGROSCIENCES LLC (US) 2017-01-24 — — US disclosed
US-9247741-B2 Use of macrocyclic picolinamides as fungicides DOW AGROSCIENCES LLC (US) 2016-02-02 — — US disclosed
US-9247741-B2 Use of macrocyclic picolinamides as fungicides DOW AGROSCIENCES LLC (US) 2016-02-02 — — US disclosed
US-20150183759-A1 MACROCYCLIC PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC 2015-07-02 — — US disclosed
US-20150181867-A1 USE OF MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC 2015-07-02 — — US disclosed
US-20150181867-A1 USE OF MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC 2015-07-02 — — US disclosed
US-20150183759-A1 MACROCYCLIC PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC 2015-07-02 — — US disclosed
WO-2015100182-A1 USE OF MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2015-07-02 — — 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-20150183759-A1 MACROCYCLIC PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY CYP51A1, PFAS, AADAC KMT2A 2871/4885L3MBTL1 4494/4885NAAA 587/4885
US-20150181867-A1 USE OF MACROCYCLIC PICOLINAMIDES AS FUNGICIDES FKBP14, CYP4F12, CYP1A2 KMT2A 3287/4885L3MBTL1 4382/4885NAAA 1708/4885

“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.