SCHEMBL17905175

SCHEMBL17905175

C[C@H](N)C(=O)O[C@@H](C)[C@H](OCC1CC1)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC1A3 P43003 6/20 0.40
▸ SLC1A2 P43004 6/20 0.40
▸ SLC1A1 P43005 6/20 0.40
▸ CYP3A4 P08684 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ PMP22 Q01453 1/20 0.31
▸ NLRP3 Q96P20 1/20 0.31
▸ CNR2 P34972 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
SCHEMBL17905625 0.83 SLC1A3 (0.45) SLC1A3SLC1A2SLC1A1
SCHEMBL17905226 0.82 SLC1A3 (0.41) SLC1A3SLC1A2SLC1A1
SCHEMBL20683000 0.79 SLC1A3 (0.41) SLC1A3SLC1A2SLC1A1
SCHEMBL17901020 0.79 SLC1A3 (0.41) SLC1A3SLC1A2SLC1A1
SCHEMBL17905501 0.78 KMT2A (0.46) CYP2D6CNR2
SCHEMBL17905142 0.78 SLC1A3 (0.41) SLC1A3SLC1A2SLC1A1
SCHEMBL17905499 0.78 SLC1A3 (0.41) SLC1A3SLC1A2SLC1A1CNR2
SCHEMBL17904843 0.77 SLC1A3 (0.40) SLC1A3SLC1A2SLC1A1
SCHEMBL17904770 0.75 SLC1A3 (0.40) SLC1A3SLC1A2SLC1A1
SCHEMBL17905145 0.75 SLC1A3 (0.39) SLC1A3SLC1A2SLC1A1

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 SLC1A3 1360/4885SLC1A2 717/4885SLC1A1 1343/4885

“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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