SCHEMBL14763588

SCHEMBL14763588

COc1cnc2ccc(OC(SC)C(=O)NC(C)(C)C)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
F2 P00734 1/20 0.49
GLA P06280 1/20 0.49
HPGDS O60760 5/20 0.46
CLK1 P49759 1/20 0.40
PDGFRB P09619 2/20 0.38
PDGFRA P16234 2/20 0.38
ALPL P05186 2/20 0.38
ATM Q13315 1/20 0.37
YES1 P07947 2/20 0.37
MAPK1 P28482 2/20 0.37
AURKB Q96GD4 2/20 0.37
SCN9A Q15858 1/20 0.37
NTRK1 P04629 1/20 0.37
EGFR P00533 1/20 0.36
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MET P08581 1/20 0.35

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
SCHEMBL12181860 0.89 PPARA (0.40) ALDH1A1HPGDF2GLAHPGDS
SCHEMBL13077864 0.89 HPGDS (0.39) ALDH1A1HPGDF2GLAHPGDS
SCHEMBL12181895 0.88 ALDH1A1 (0.45) ALDH1A1HPGDF2GLAHPGDS
SCHEMBL12181920 0.88 ALDH1A1 (0.45) ALDH1A1HPGDF2GLAHPGDS
SCHEMBL14773116 0.88 ALDH1A1 (0.45) ALDH1A1HPGDF2GLAHPGDS
SCHEMBL633389 0.88 HPGDS (0.38) ALDH1A1HPGDF2GLAHPGDS
SCHEMBL1926439 0.88 HPGDS (0.38) ALDH1A1HPGDF2GLAHPGDS
SCHEMBL13077739 0.86 HPGDS (0.38) ALDH1A1HPGDF2GLAHPGDS
SCHEMBL13077465 0.86 SCN9A (0.39) ALDH1A1HPGDF2GLAHPGDS
SCHEMBL12181871 0.86 HPGD (0.42) ALDH1A1HPGDF2GLAHPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130065922-A1 NOVEL AMIDES AS FUNGICIDES SYNGENTA CROP PROTECTION LLC (US) 2013-03-14 US disclosed
US-20130065922-A1 NOVEL AMIDES AS FUNGICIDES SYNGENTA CROP PROTECTION LLC (US) 2013-03-14 US disclosed
US-20130065922-A1 NOVEL AMIDES AS FUNGICIDES SYNGENTA CROP PROTECTION LLC (US) 2013-03-14 US 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-20130065922-A1 NOVEL AMIDES AS FUNGICIDES CYP51A1, DDT, CYP4X1 ALDH1A1 264/4885HPGD 4473/4885F2 4443/4885

“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.