SCHEMBL17905498

SCHEMBL17905498

CC(C)CO[C@H](CC(C)C)[C@H](C)OC(=O)[C@H](C)N

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.35
▸ SLC7A5 Q01650 1/20 0.34
▸ SLC1A3 P43003 1/20 0.31
▸ SLC1A2 P43004 1/20 0.31
▸ LAP3 P28838 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL21985431 0.82 TSHR (0.35) TSHRSLC7A5
SCHEMBL17905499 0.81 SLC1A3 (0.41) SLC7A5SLC1A3SLC1A2
SCHEMBL17904807 0.77 TSHR (0.30) TSHR
SCHEMBL17905251 0.76 SLC1A3 (0.41) TSHRSLC7A5SLC1A3SLC1A2
SCHEMBL17900993 0.74 TSHR (0.32) TSHR
SCHEMBL20682760 0.74 TSHR (0.32) TSHR
SCHEMBL17901321 0.74 TSHR (0.32) TSHR
SCHEMBL23656867 0.73 SLC7A5 (0.44) TSHRSLC7A5SLC1A3SLC1A2LAP3
SCHEMBL17662348 0.73 SLC7A5 (0.44) TSHRSLC7A5SLC1A3SLC1A2LAP3
SCHEMBL17905409 0.72 CA1 (0.41) —

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 4 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
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 (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 TSHR 3436/4885SLC7A5 2290/4885SLC1A3 1360/4885

“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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