SCHEMBL17901014

SCHEMBL17901014

CC(C)[C@@H](OC(=O)[C@H](C)N)[C@H](C)OCC1CCC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC1A3 P43003 6/20 0.44
▸ SLC1A2 P43004 6/20 0.44
▸ SLC1A1 P43005 6/20 0.44
▸ CTSK P43235 2/20 0.32
▸ PARP15 Q460N3 1/20 0.31
▸ PARP10 Q53GL7 1/20 0.31
▸ PARP2 Q9UGN5 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ ALOX5 P09917 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
SCHEMBL20683003 1.00 SLC1A3 (0.44) SLC1A3SLC1A2SLC1A1CTSKPARP15
SCHEMBL20683000 0.94 SLC1A3 (0.41) SLC1A3SLC1A2SLC1A1
SCHEMBL17901020 0.94 SLC1A3 (0.41) SLC1A3SLC1A2SLC1A1
SCHEMBL17905226 0.82 SLC1A3 (0.41) SLC1A3SLC1A2SLC1A1
SCHEMBL17905625 0.80 SLC1A3 (0.45) SLC1A3SLC1A2SLC1A1
SCHEMBL20682808 0.79 TPSAB1 (0.31) SLC1A3SLC1A2SLC1A1
SCHEMBL17901022 0.79 TPSAB1 (0.31) SLC1A3SLC1A2SLC1A1
SCHEMBL17905215 0.76 SLC1A3 (0.39) SLC1A3SLC1A2SLC1A1CTSK
SCHEMBL20682985 0.76 CTSK (0.42) CTSK
SCHEMBL17901092 0.76 CTSK (0.42) CTSK

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
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-2016109303-A1 USE OF PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-07-07 — — WO disclosed
WO-2016109302-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 (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 SLC1A3 1360/4885SLC1A2 717/4885SLC1A1 1343/4885
US-10188109-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.

Send feedback