SCHEMBL17900617

SCHEMBL17900617

C[C@H](N)C(=O)O[C@@H](C)[C@H](OCC1CC1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGIR P43119 6/20 0.40
▸ GPR88 Q9GZN0 3/20 0.38
▸ SLC1A3 P43003 2/20 0.38
▸ SLC1A2 P43004 2/20 0.38
▸ SLC1A1 P43005 2/20 0.38
▸ BCHE P06276 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ CNR2 P34972 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL17900550 0.93 GPR88 (0.38) PTGIRGPR88SLC1A3SLC1A2SLC1A1
SCHEMBL17900766 0.90 FFAR1 (0.39) PTGIRGPR88
SCHEMBL22474334 0.84 GPR88 (0.40) PTGIRGPR88BCHEACHE
SCHEMBL17900767 0.81 ALDH1A1 (0.41) CYP1A2CYP2D6TSHR
SCHEMBL17900768 0.81 ALDH1A1 (0.41) CYP1A2CYP2D6TSHR
SCHEMBL17905261 0.80 SIGMAR1 (0.38) SLC1A3SLC1A2SLC1A1BCHEACHE
SCHEMBL22394295 0.79 ADRA2A (0.39) PTGIRGPR88SLC1A3SLC1A2SLC1A1
SCHEMBL17900762 0.79 KMT2A (0.44) GPR88
SCHEMBL17900647 0.79 KMT2A (0.44) GPR88
SCHEMBL21985432 0.78 FFAR1 (0.43) GPR88CYP1A2CYP2D6

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 10 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
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
US-10173981-B2 Picolinamides as fungicides DOW AGROSCIENCES LLC (US) 2019-01-08 — — US disclosed
US-20180000080-A1 PICOLINAMIDES AS FUNGICIDES CORTEVA AGRISCIENCE LLC 2018-01-04 — — US disclosed
US-20180002288-A1 USE OF 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-2016109304-A1 PICOLINAMIDES AS FUNGICIDES 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-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 (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 PTGIR 3171/4885GPR88 3703/4885SLC1A3 1360/4885
US-20180000080-A1 PICOLINAMIDES AS FUNGICIDES CYP1A2, CYP4F12, FKBP2 PTGIR 3591/4885GPR88 3632/4885SLC1A3 723/4885
US-20180002288-A1 USE OF PICOLINAMIDES AS FUNGICIDES PFAS, CYP1A2, CYP4F12 PTGIR 3139/4885GPR88 3604/4885SLC1A3 613/4885
US-10173981-B2 Picolinamides as fungicides CYP1A2, CYP4F12, FKBP2 PTGIR 3591/4885GPR88 3632/4885SLC1A3 723/4885

“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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