SCHEMBL17896228

SCHEMBL17896228

CC(OC(=O)[C@H](C)NC(=O)OC(C)(C)C)[C@H](OCC1CC1)C1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.43
▸ CTSK P43235 3/20 0.39
▸ CTSS P25774 2/20 0.39
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ EPHX1 P07099 1/20 0.35
▸ CACNA1B Q00975 5/20 0.34
▸ ATM Q13315 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ CTSL P07711 1/20 0.33
▸ CTSB P07858 1/20 0.33
▸ AAK1 Q2M2I8 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
SCHEMBL17904773 1.00 KMT2A (0.43) KMT2ACTSKCTSSHDAC4HDAC1
SCHEMBL17905112 0.99 KMT2A (0.42) KMT2ACTSKCTSSHDAC4HDAC1
SCHEMBL17905502 0.95 KMT2A (0.45) KMT2ACTSKCTSSCACNA1BATM
SCHEMBL17905110 0.87 KMT2A (0.39) KMT2ACTSKCTSSHDAC4HDAC1
SCHEMBL17905125 0.86 KMT2A (0.48) KMT2ACTSKCTSSEPHX1CACNA1B
SCHEMBL17904803 0.82 KMT2A (0.46) KMT2ACTSKCTSSATMCA1
SCHEMBL17905501 0.82 KMT2A (0.46) KMT2ACTSKCTSSATMCA1
SCHEMBL17905413 0.81 KMT2A (0.45) KMT2ACTSKCTSSATMCA1
SCHEMBL17905158 0.81 KMT2A (0.44) KMT2ACTSKCTSSATMCA1
SCHEMBL20682983 0.80 KMT2A (0.46) KMT2ACTSKCTSSEPHX1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3240413-B1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2020-05-13 — — EP disclosed
US-10433555-B2 Picolinamide compounds with fungicidal activity DOW AGROSCIENCES LLC (US) 2019-10-08 — — US disclosed
US-20180000085-A1 USE OF PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY CORTEVA AGRISCIENCE LLC 2018-01-04 — — US disclosed
US-20180000075-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY CORTEVA AGRISCIENCE LLC 2018-01-04 — — US disclosed
EP-3240412-A1 USE OF PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY Dow Agrosciences LLC (US) 2017-11-08 — — EP disclosed
EP-3240413-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY Dow Agrosciences LLC (US) 2017-11-08 — — EP disclosed
WO-2016109289-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-07-07 — — WO disclosed
WO-2016109288-A1 USE OF PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-07-07 — — 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 (3 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-20180000075-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY PFAS, CASP2, CYP1A2 KMT2A 3102/4885CTSK 2808/4885CTSS 1597/4885
US-10433555-B2 Picolinamide compounds with fungicidal activity PFAS, CASP2, CYP1A2 KMT2A 3102/4885CTSK 2808/4885CTSS 1597/4885
US-20180000085-A1 USE OF PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY PFAS, CYP1A2, CYP51A1 KMT2A 3265/4885CTSK 2327/4885CTSS 1334/4885

“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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