SCHEMBL17901239

SCHEMBL17901239

C[C@H](NC(=O)OC(C)(C)C)C(=O)OC(Cc1ccccc1)[C@H](C)Oc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 2/20 0.48
▸ CTSS P25774 3/20 0.47
▸ CTSK P43235 3/20 0.47
▸ CTSL P07711 1/20 0.47
▸ CTSB P07858 1/20 0.47
▸ KLK5 Q9Y337 2/20 0.45
▸ ACE P12821 1/20 0.45
▸ KMT2A Q03164 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ APP P05067 2/20 0.42
▸ AKT1 P31749 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ SYK P43405 1/20 0.41

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
SCHEMBL17901286 1.00 ATM (0.48) ATMCTSSCTSKCTSLCTSB
SCHEMBL17905004 0.91 ATM (0.48) ATMCTSSCTSKCTSLCTSB
SCHEMBL17901123 0.89 CTSK (0.43) ATMCTSSCTSKCTSLCTSB
SCHEMBL17901143 0.89 CTSK (0.43) ATMCTSSCTSKCTSLCTSB
SCHEMBL17901082 0.89 CTSK (0.43) ATMCTSSCTSKCTSLCTSB
SCHEMBL17901087 0.89 CTSK (0.43) ATMCTSSCTSKCTSLCTSB
SCHEMBL17901222 0.88 MMP13 (0.43) ATMCTSSCTSKKMT2A
SCHEMBL17901232 0.88 MMP13 (0.43) ATMCTSSCTSKKMT2A
SCHEMBL17901221 0.88 MMP13 (0.43) ATMCTSSCTSKKMT2A
SCHEMBL17901219 0.88 MMP13 (0.43) ATMCTSSCTSKKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3240419-B1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2020-05-06 — — EP disclosed
US-10188109-B2 Picolinamide compounds with fungicidal activity DOW AGROSCIENCES LLC (US) 2019-01-29 — — US disclosed
US-20170360038-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY CORTEVA AGRISCIENCE LLC 2017-12-21 — — US disclosed
WO-2016109302-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-07-07 — — WO disclosed
WO-2016109303-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 (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-20170360038-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY PFAS, CASP2, CYP1A2 ATM 4694/4885CTSS 1597/4885CTSK 2808/4885
US-10188109-B2 Picolinamide compounds with fungicidal activity PFAS, CASP2, CYP1A2 ATM 4694/4885CTSS 1597/4885CTSK 2808/4885

“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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