SCHEMBL17906527

SCHEMBL17906527

CCC(CC)[C@@H](Oc1cccc(-c2ccccc2)c1)[C@H](C)OC(=O)[C@H](C)NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 4/20 0.43
▸ CTSS P25774 2/20 0.43
▸ CTSB P07858 1/20 0.43
▸ SCN9A Q15858 2/20 0.42
▸ HDAC4 P56524 2/20 0.41
▸ HDAC1 Q13547 2/20 0.41
▸ HDAC3 O15379 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HDAC9 Q9UKV0 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ EPHX2 P34913 1/20 0.39

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
SCHEMBL17905043 0.92 MAPT (0.46) CTSKCTSSCTSBSCN9AKDM4E
SCHEMBL17904976 0.92 SYK (0.41) CTSKCTSSCTSBKDM4EHPGD
SCHEMBL17905021 0.90 CTSK (0.41) CTSKCTSSCTSBSCN9AHDAC4
SCHEMBL17904834 0.90 CTSS (0.43) CTSKCTSSCTSBSCN9AHDAC4
SCHEMBL17905011 0.87 HTT (0.42) KDM4EHPGDALDH1A1HTTEPHX2
SCHEMBL17905013 0.87 CTSS (0.41) CTSKCTSSSCN9AKDM4EHPGD
SCHEMBL17905062 0.87 CTSS (0.41) CTSKCTSSSCN9AKDM4EHPGD
SCHEMBL17904783 0.86 CTSK (0.39) CTSKCTSSKDM4EHPGDEPHX2
SCHEMBL17905003 0.85 ATM (0.44) CTSKCTSSCTSBALDH1A1EPHX2
SCHEMBL17905002 0.85 ATM (0.44) CTSKCTSSCTSBALDH1A1EPHX2

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 3 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
WO-2016109289-A1 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 (1 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-10433555-B2 Picolinamide compounds with fungicidal activity PFAS, CASP2, CYP1A2 CTSK 2808/4885CTSS 1597/4885CTSB 1923/4885

“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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