SCHEMBL4854382

SCHEMBL4854382

C[C@H](CO)[C@H](C)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.55
RCE1 Q9Y256 1/20 0.48
MAPT P10636 1/20 0.45
HTT P42858 3/20 0.44
MMP9 P14780 2/20 0.43
MMP8 P22894 2/20 0.43
SLC1A3 P43003 2/20 0.42
SLC1A2 P43004 2/20 0.42
SLC1A1 P43005 2/20 0.42
CYP2D6 P10635 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL9153608 1.00 TRPA1 (0.55) TRPA1RCE1MAPTHTTMMP9
SCHEMBL5278755 1.00 TRPA1 (0.55) TRPA1RCE1MAPTHTTMMP9
SCHEMBL19088657 0.85 RCE1 (0.46) TRPA1RCE1MAPTHTTMMP9
SCHEMBL11961368 0.83 RCE1 (0.50) TRPA1RCE1MAPTHTTMMP9
SCHEMBL11961365 0.83 RCE1 (0.50) TRPA1RCE1MAPTHTTMMP9
SCHEMBL1487082 0.83 RCE1 (0.50) TRPA1RCE1MAPTHTTMMP9
SCHEMBL11961367 0.83 RCE1 (0.50) TRPA1RCE1MAPTHTTMMP9
SCHEMBL11961366 0.83 RCE1 (0.50) TRPA1RCE1MAPTHTTMMP9
SCHEMBL16265939 0.83 RCE1 (0.50) TRPA1RCE1MAPTHTTMMP9
SCHEMBL16249927 0.82 RCE1 (0.45) TRPA1RCE1MAPTHTTMMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190359557-A1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2019-11-28 US disclosed
US-7432087-B2 Method for preparing (2S, 3R, 4S)-4-hydroxyisoleucine and analogues thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFQUE (FR) 2008-10-07 US disclosed
EP-1268397-B1 METHOD FOR PREPARING (2S,3R,4S)-4-HYDROXYISOLEUCINE AND ANALOGUES THEREOF CENTRE NAT RECH SCIENT (FR) 2007-12-05 EP disclosed
US-20050079587-A1 Method for preparing (2S, 3R, 4S) -4-hydroxyisoleucine and analogues thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE 2005-04-14 US disclosed
US-20030219880-A1 Method for preparing (2s,3r,4s)-4-hydroxyisoleucine and analogues thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2003-11-27 US disclosed
EP-1268397-A2 METHOD FOR PREPARING (2S,3R,4S)-4-HYDROXYISOLEUCINE AND ANALOGUES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2003-01-02 EP disclosed
WO-2001072688-A2 METHOD FOR PREPARING (2S,3R,4S)-4-HYDROXYISOLEUCINE AND ANALOGUES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2001-10-04 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-20190359557-A1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY CYP51A1, CYP1A2, FKBP14 TRPA1 200/4885RCE1 313/4885MAPT 2315/4885

“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.