SCHEMBL17906534

SCHEMBL17906534

C=CC[C@@H](Oc1ccccc1)[C@H](C)OC(=O)[C@H](C)NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.42
▸ MMP13 P45452 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ CTSK P43235 4/20 0.37
▸ CTSS P25774 3/20 0.37
▸ BTN3A1 O00481 2/20 0.37
▸ ATM Q13315 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ CTSL P07711 1/20 0.36
▸ CTSB P07858 1/20 0.36
▸ KLK5 Q9Y337 1/20 0.36
▸ PPARG P37231 1/20 0.35
▸ PPARA Q07869 1/20 0.35

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
SCHEMBL17905508 0.89 CTSL (0.39) MAPTKDM4EHPGDGLAGAA
SCHEMBL17905509 0.88 PPARG (0.38) MAPTMMP13KDM4EHPGDGLA
SCHEMBL17905017 0.86 MMP13 (0.43) MAPTMMP13KDM4EHPGDGLA
SCHEMBL17896173 0.85 PPARA (0.43) MAPTCTSKCTSSATMCTSL
SCHEMBL17905295 0.85 PPARA (0.43) MAPTCTSKCTSSATMCTSL
SCHEMBL17905004 0.85 ATM (0.48) CTSKCTSSATMCTSLCTSB
SCHEMBL17906532 0.85 CTSK (0.43) MAPTMMP13KDM4EHPGDGLA
SCHEMBL17901356 0.84 MAPT (0.40) MAPTMMP13KDM4EHPGDGLA
SCHEMBL17901357 0.84 MAPT (0.40) MAPTMMP13KDM4EHPGDGLA
SCHEMBL17901322 0.83 MAPT (0.44) MAPTMMP13KDM4EHPGDGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPT 1306/4885MMP13 3395/4885KDM4E 2492/4885

“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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