SCHEMBL17900751

SCHEMBL17900751

C[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H](C)[C@H](Oc1cccc(F)c1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 2/20 0.41
▸ CTSK P43235 2/20 0.41
▸ GABRB1 P18505 1/20 0.41
▸ GABRB2 P47870 1/20 0.41
▸ CNR2 P34972 2/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ ATM Q13315 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ PPARG P37231 2/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ HPGD P15428 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ MTOR P42345 1/20 0.38
▸ EPHX2 P34913 1/20 0.38

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
SCHEMBL17900538 0.93 CTSK (0.40) CTSSCTSKGABRB1GABRB2CNR2
SCHEMBL17905183 0.90 CTSK (0.43) CTSSCTSKGABRB1GABRB2ATM
SCHEMBL17904998 0.90 CTSK (0.43) CTSSCTSKGABRB1GABRB2ATM
SCHEMBL17900650 0.90 CTSK (0.43) CTSSCTSKGABRB1GABRB2ATM
SCHEMBL17895334 0.90 EPHX2 (0.39) CTSSCTSKGABRB1GABRB2MEN1
SCHEMBL17895331 0.90 EPHX2 (0.39) CTSSCTSKGABRB1GABRB2MEN1
SCHEMBL17895332 0.90 EPHX2 (0.39) CTSSCTSKGABRB1GABRB2MEN1
SCHEMBL17900551 0.90 CTSK (0.42) CTSSCTSKGABRB1GABRB2MEN1
SCHEMBL17900708 0.88 S1PR3 (0.41) CTSSCTSKGABRB1GABRB2CNR2
SCHEMBL17900669 0.88 CNR1 (0.41) CTSSCTSKGABRB1GABRB2CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3255991-B1 PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2020-09-30 — — EP disclosed
US-10433555-B2 Picolinamide compounds with fungicidal activity DOW AGROSCIENCES LLC (US) 2019-10-08 — — US disclosed
US-10173981-B2 Picolinamides as fungicides DOW AGROSCIENCES LLC (US) 2019-01-08 — — US disclosed
US-20180002288-A1 USE OF PICOLINAMIDES AS FUNGICIDES CORTEVA AGRISCIENCE LLC 2018-01-04 — — US disclosed
US-20180000080-A1 PICOLINAMIDES AS FUNGICIDES CORTEVA AGRISCIENCE LLC 2018-01-04 — — US disclosed
WO-2016109305-A1 USE OF PICOLINAMIDES AS FUNGICIDES 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
WO-2016109289-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-07-07 — — WO disclosed
WO-2016109304-A1 PICOLINAMIDES AS FUNGICIDES 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 (4 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 CTSS 1597/4885CTSK 2808/4885GABRB1 701/4885
US-20180000080-A1 PICOLINAMIDES AS FUNGICIDES CYP1A2, CYP4F12, FKBP2 CTSS 1587/4885CTSK 2728/4885GABRB1 293/4885
US-20180002288-A1 USE OF PICOLINAMIDES AS FUNGICIDES PFAS, CYP1A2, CYP4F12 CTSS 1293/4885CTSK 2817/4885GABRB1 367/4885
US-10173981-B2 Picolinamides as fungicides CYP1A2, CYP4F12, FKBP2 CTSS 1587/4885CTSK 2728/4885GABRB1 293/4885

“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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