SCHEMBL17900661

SCHEMBL17900661

C[C@@H](N)C(=O)O[C@H](C)[C@@H](Oc1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MTNR1A P48039 1/20 0.38
▸ MTNR1B P49286 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ FFAR1 O14842 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ CTRB1 P17538 2/20 0.36

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
SCHEMBL17900619 1.00 ALOX5 (0.39) ALOX5ATML3MBTL1KMT2AGAA
SCHEMBL17900618 1.00 ALOX5 (0.39) ALOX5ATML3MBTL1KMT2AGAA
SCHEMBL17900558 0.92 NR3C1 (0.42) ALOX5KMT2AGAAMEN1ALDH1A1
SCHEMBL17900623 0.92 CYP1A2 (0.47) GAACYP1A2CYP2C9PKMCYP2C19
SCHEMBL17900660 0.90 PPARG (0.44) —
SCHEMBL19758193 0.90 PPARG (0.44) ALOX5KMT2AGAAMEN1ALDH1A1
SCHEMBL17900664 0.90 PPARG (0.44) ALOX5KMT2AGAAMEN1ALDH1A1
SCHEMBL17900555 0.90 PPARG (0.41) ATMKMT2AGAAMEN1ALDH1A1
Hydrochloric Acid SCHEMBL17895030 0.89 PPARG (0.40) ATMKMT2AGAAMEN1ALDH1A1
Hydrochloric Acid SCHEMBL17895031 0.89 PPARG (0.40) ATMKMT2AGAAMEN1ALDH1A1

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 ALOX5 2206/4885ATM 4694/4885L3MBTL1 4518/4885
US-20180000080-A1 PICOLINAMIDES AS FUNGICIDES CYP1A2, CYP4F12, FKBP2 ALOX5 2523/4885ATM 4758/4885L3MBTL1 4245/4885
US-20180002288-A1 USE OF PICOLINAMIDES AS FUNGICIDES PFAS, CYP1A2, CYP4F12 ALOX5 2323/4885ATM 4799/4885L3MBTL1 4236/4885
US-10173981-B2 Picolinamides as fungicides CYP1A2, CYP4F12, FKBP2 ALOX5 2523/4885ATM 4758/4885L3MBTL1 4245/4885

“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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