SCHEMBL16864908

SCHEMBL16864908

COC(=O)[C@@H](CCC(C)C)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ CA14 Q9ULX7 3/20 0.38
▸ CA12 O43570 3/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA1 P00915 4/20 0.36
▸ CA2 P00918 2/20 0.36
▸ ZDHHC7 Q9NXF8 1/20 0.34
▸ ABCB1 P08183 1/20 0.33
▸ MME P08473 1/20 0.33
▸ KMT2A Q03164 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ FOLH1 Q04609 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ PKM P14618 1/20 0.32

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
SCHEMBL16859411 0.84 SMN1; SMN2 (0.37) SMN1; SMN2CA14CA12CA9CA7
SCHEMBL16859410 0.84 SMN1; SMN2 (0.37) SMN1; SMN2CA14CA12CA9CA7
SCHEMBL17423668 0.84 SMN1; SMN2 (0.37) SMN1; SMN2CA14CA12CA9CA7
SCHEMBL21052301 0.84 SMN1; SMN2 (0.41) SMN1; SMN2CA14CA12CA9CA7
SCHEMBL18124656 0.82 CA1 (0.45) SMN1; SMN2CA14CA12CA9CA7
SCHEMBL28977201 0.82 CA1 (0.34) CA12CA9CA1CA2
SCHEMBL18124693 0.82 CA1 (0.45) SMN1; SMN2CA14CA12CA9CA7
SCHEMBL18124651 0.82 CA1 (0.45) SMN1; SMN2CA14CA12CA9CA7
SCHEMBL7990686 0.82 SMN1; SMN2 (0.43) SMN1; SMN2CA14CA12CA9CA7
SCHEMBL8161959 0.80 ALDH1A1 (0.39) SMN1; SMN2CA12CA9CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9974304-B2 Use of macrocyclic picolinamides as fungicides DOW AGROSCIENCES LLC (US) 2018-05-22 — — US disclosed
US-20180037541-A1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY CORTEVA AGRISCIENCE LLC 2018-02-08 — — US disclosed
US-20170369421-A1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY CORTEVA AGRISCIENCE LLC 2017-12-28 — — US disclosed
US-20170273303-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES CORTEVA AGRISCIENCE LLC 2017-09-28 — — US disclosed
US-9686984-B2 Macrocyclic picolinamides as fungicides DOW AGROSCIENCES LLC (US) 2017-06-27 — — US disclosed
US-9549555-B2 Macrocyclic picolinamide compounds with fungicidal activity DOW AGROSCIENCES LLC (US) 2017-01-24 — — US disclosed
US-9549556-B2 Macrocyclic picolinamides as fungicides 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-20160007602-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC 2016-01-14 — — 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
US-20150181868-A1 USE OF MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC 2015-07-02 — — US disclosed
US-20150181869-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC 2015-07-02 — — 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 (8 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-20150181868-A1 USE OF MACROCYCLIC PICOLINAMIDES AS FUNGICIDES FKBP14, CYP4F12, CYP1A2 SMN1; SMN2 2481/4885CA14 1966/4885CA12 1327/4885
US-20180037541-A1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY CYP51A1, CYP1A2, FKBP14 SMN1; SMN2 2904/4885CA14 2654/4885CA12 2056/4885
US-20170273303-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES CYP4F12, CYP1A2, FKBP2 SMN1; SMN2 1902/4885CA14 1340/4885CA12 801/4885
US-20150183759-A1 MACROCYCLIC PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY CYP51A1, PFAS, AADAC SMN1; SMN2 2571/4885CA14 3399/4885CA12 3005/4885
US-20150181867-A1 USE OF MACROCYCLIC PICOLINAMIDES AS FUNGICIDES FKBP14, CYP4F12, CYP1A2 SMN1; SMN2 2481/4885CA14 1966/4885CA12 1327/4885
US-20160007602-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES CYP4F12, CYP1A2, FKBP2 SMN1; SMN2 1902/4885CA14 1340/4885CA12 801/4885
US-20170369421-A1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY CYP51A1, CYP1A2, FKBP14 SMN1; SMN2 2904/4885CA14 2654/4885CA12 2056/4885
US-20150181869-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES FKBP14, FKBP2, CYP51A1 SMN1; SMN2 3211/4885CA14 1814/4885CA12 1286/4885

“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.

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