SCHEMBL17904813

SCHEMBL17904813

CCC[C@@H](OCc1ccccc1)[C@H](C)OC(=O)[C@H](C)N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC1A3 P43003 2/20 0.43
▸ SLC1A2 P43004 2/20 0.43
▸ SLC1A1 P43005 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ LTA4H P09960 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ CTSK P43235 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ SLC15A1 P46059 1/20 0.38
▸ PPARG P37231 2/20 0.38
▸ PPARA Q07869 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TSHR P16473 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37

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
SCHEMBL17905244 0.87 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL17904801 0.82 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL17896267 0.82 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL19758142 0.82 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL17904840 0.81 MAPT (0.40) CYP1A2CYP2C9CYP2C19LTA4HALDH1A1
SCHEMBL17901409 0.78 ALPI (0.41) MEN1CYP2D6KMT2ACTSKPOLB
SCHEMBL17905296 0.78 SYK (0.47) CTSKPPARA
SCHEMBL20682921 0.77 SLC1A3 (0.47) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL17901292 0.77 SLC1A3 (0.47) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL17901318 0.76 MAPT (0.40) CYP1A2CYP2C9CYP2C19ALDH1A1POLB

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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