SCHEMBL22848628

SCHEMBL22848628

C=C(N)/C=C(\C)OC(=O)OC

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 2/20 0.33
HSD17B10 Q99714 1/20 0.31
CRBN Q96SW2 1/20 0.31

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
SCHEMBL25511104 0.77
SCHEMBL23903683 0.75 ALDH1A1 (0.34) ALDH1A1TDP1HSD17B10CRBN
SCHEMBL14775319 0.72
SCHEMBL6140627 0.69
SCHEMBL13749214 0.67
SCHEMBL16091195 0.67
SCHEMBL21208249 0.67 CRBN (0.46) TDP1CRBN
SCHEMBL22810802 0.67 ALDH1A1 (0.39) ALDH1A1
SCHEMBL19869376 0.66 ALDH1A1 (0.41) ALDH1A1TDP1HSD17B10
SCHEMBL28768793 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200407323-A1 PROCESS FOR THE PREPARATION OF IVACAFTOR AND ITS ITERMEDIATES LAURUS LABS LIMITED (IN) 2020-12-31 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-20200407323-A1 PROCESS FOR THE PREPARATION OF IVACAFTOR AND ITS ITERMEDIATES ACVR1, SLC10A2, CYP4A11 ALDH1A1 1022/4885TDP1 2758/4885HSD17B10 438/4885

“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.