SCHEMBL17900550

SCHEMBL17900550

C[C@H](N)C(=O)O[C@@H](C)[C@H](OCC1CC1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GPR88 Q9GZN0 2/20 0.38
▸ FFAR1 O14842 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.36
▸ BCHE P06276 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ ACACB O00763 1/20 0.36
▸ ACACA Q13085 1/20 0.36
▸ PTGIR P43119 1/20 0.35
▸ SLC1A3 P43003 2/20 0.35
▸ SLC1A2 P43004 2/20 0.35
▸ SLC1A1 P43005 2/20 0.35
▸ PDCD1 Q15116 1/20 0.35
▸ CD274 Q9NZQ7 1/20 0.35
▸ MAPT P10636 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
SCHEMBL17900617 0.93 PTGIR (0.40) GPR88BCHEACHEPTGIRSLC1A3
SCHEMBL17900766 0.90 FFAR1 (0.39) GPR88FFAR1ACACBACACAPTGIR
SCHEMBL19757660 0.78 GPR88 (0.38) GPR88FFAR1PTGS2ACACBACACA
SCHEMBL22474334 0.78 GPR88 (0.40) GPR88BCHEACHEPTGIR
SCHEMBL17900623 0.78 CYP1A2 (0.47) PTGS2TAAR1ACACBACACAPDCD1
SCHEMBL17896242 0.77 SIGMAR1 (0.38) —
SCHEMBL22474188 0.77 SIGMAR1 (0.38) —
SCHEMBL17905261 0.76 SIGMAR1 (0.38) TAAR1BCHEACHESLC1A3SLC1A2
SCHEMBL17902502 0.76 PTGS2 (0.49) PTGS2TAAR1ACACBACACAPDCD1
SCHEMBL17900767 0.75 ALDH1A1 (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 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-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-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 GPR88 3703/4885FFAR1 863/4885PTGS2 1590/4885
US-20180000080-A1 PICOLINAMIDES AS FUNGICIDES CYP1A2, CYP4F12, FKBP2 GPR88 3632/4885FFAR1 1185/4885PTGS2 1596/4885
US-20180002288-A1 USE OF PICOLINAMIDES AS FUNGICIDES PFAS, CYP1A2, CYP4F12 GPR88 3604/4885FFAR1 1072/4885PTGS2 1372/4885
US-10173981-B2 Picolinamides as fungicides CYP1A2, CYP4F12, FKBP2 GPR88 3632/4885FFAR1 1185/4885PTGS2 1596/4885

“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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