SCHEMBL17900662

SCHEMBL17900662

C[C@H](N)C(=O)O[C@@H](C)[C@H](Oc1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.40
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ PPARA Q07869 3/20 0.38
▸ PPARG P37231 2/20 0.38
▸ HTT P42858 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ HSD11B1 P28845 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PARP10 Q53GL7 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL17900630 1.00 ALDH1A1 (0.46) ALDH1A1NPSR1MEN1KMT2ASMN1; SMN2
SCHEMBL17900673 0.95 ALDH1A1 (0.42) ALDH1A1NPSR1MEN1KMT2ASMN1; SMN2
SCHEMBL17900555 0.93 PPARG (0.41) ALDH1A1NPSR1MEN1KMT2ASMN1; SMN2
SCHEMBL17900664 0.93 PPARG (0.44) ALDH1A1NPSR1MEN1KMT2ASMN1; SMN2
SCHEMBL19758193 0.93 PPARG (0.44) ALDH1A1NPSR1MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL17895030 0.92 PPARG (0.40) ALDH1A1NPSR1MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL17895032 0.92 PPARG (0.40) ALDH1A1NPSR1MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL17895031 0.92 PPARG (0.40) ALDH1A1NPSR1MEN1KMT2ASMN1; SMN2
SCHEMBL21440916 0.85 ALDH1A1 (0.50) ALDH1A1NPSR1MEN1KMT2ASMN1; SMN2
SCHEMBL17900618 0.82 ALOX5 (0.39) ALDH1A1MEN1KMT2ALMNAMAPT

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 6 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20180000080-A1 PICOLINAMIDES AS FUNGICIDES CYP1A2, CYP4F12, FKBP2 ALDH1A1 1130/4885NPSR1 1327/4885MEN1 2009/4885
US-20180002288-A1 USE OF PICOLINAMIDES AS FUNGICIDES PFAS, CYP1A2, CYP4F12 ALDH1A1 1067/4885NPSR1 847/4885MEN1 2756/4885
US-10173981-B2 Picolinamides as fungicides CYP1A2, CYP4F12, FKBP2 ALDH1A1 1130/4885NPSR1 1327/4885MEN1 2009/4885

“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.

Send feedback