SCHEMBL17901231

SCHEMBL17901231

C[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@H](C1CCCCC1)[C@H](C)Oc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.40
▸ ATM Q13315 1/20 0.40
▸ REN P00797 3/20 0.39
▸ ELANE P08246 1/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CTSL P07711 1/20 0.38
▸ CACNA1B Q00975 3/20 0.37
▸ HPGD P15428 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CTSS P25774 1/20 0.37
▸ CTSK P43235 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HRH2 P25021 2/20 0.36
▸ HRH1 P35367 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 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
SCHEMBL20682881 1.00 KMT2A (0.40) KMT2AATMRENELANERAB9A
SCHEMBL17901230 1.00 KMT2A (0.40) KMT2AATMRENELANERAB9A
SCHEMBL17901237 0.99 KMT2A (0.40) KMT2AATMRENELANECACNA1B
SCHEMBL20682911 0.99 KMT2A (0.40) KMT2AATMRENELANECACNA1B
SCHEMBL17901238 0.99 KMT2A (0.40) KMT2AATMRENELANECACNA1B
SCHEMBL17901042 0.95 KMT2A (0.41) KMT2AATMALDH1A1HPGDKDM4E
SCHEMBL17905616 0.94 ELANE (0.38) KMT2AATMRENELANERAB9A
SCHEMBL17905010 0.93 KMT2A (0.38) KMT2AATMRENELANEALDH1A1
SCHEMBL17905117 0.84 CACNA1B (0.43) ATMRAB9AALDH1A1CACNA1BHPGD
SCHEMBL17905609 0.82 HPGD (0.39) RAB9AALDH1A1CACNA1BHPGDKDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3240419-B1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2020-05-06 — — EP disclosed
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-2016109302-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-07-07 — — WO disclosed
WO-2016109303-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 (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 KMT2A 3102/4885ATM 4694/4885REN 3560/4885
US-10188109-B2 Picolinamide compounds with fungicidal activity PFAS, CASP2, CYP1A2 KMT2A 3102/4885ATM 4694/4885REN 3560/4885

“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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