SCHEMBL5793568

SCHEMBL5793568

CC1=C(C(=O)OCCc2cccc(Cl)c2)C(COC(=O)OCCS(C)(=O)=O)NC(=S)N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
ALOX12 P18054 5/20 0.37
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HTT P42858 2/20 0.37
TP53 P04637 1/20 0.37
HSP90AA1 P07900 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CACNA1F O60840 1/20 0.36
CACNA1D Q01668 1/20 0.36
CACNA1S Q13698 1/20 0.36
CACNA1C Q13936 1/20 0.36
LMNA P02545 4/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
DHFR P00374 2/20 0.35
MAPK1 P28482 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
SCHEMBL5764699 0.89 CACNA1F (0.43) ALDH1A1ALOX12MAPTSMN1; SMN2HTT
SCHEMBL5793380 0.88 ALDH1A1 (0.44) ALDH1A1ALOX12MAPTSMN1; SMN2HTT
SCHEMBL5767392 0.86 CA1 (0.42) ALDH1A1ALOX12MAPTSMN1; SMN2HTT
SCHEMBL5911496 0.85 ALDH1A1 (0.39) ALDH1A1ALOX12MAPTSMN1; SMN2HTT
SCHEMBL5765288 0.84 ALDH1A1 (0.44) ALDH1A1ALOX12MAPTSMN1; SMN2HTT
SCHEMBL5766350 0.83 ALDH1A1 (0.38) ALDH1A1ALOX12MAPTSMN1; SMN2HTT
SCHEMBL5794068 0.82 ALDH1A1 (0.42) ALDH1A1ALOX12MAPTSMN1; SMN2HTT
SCHEMBL5911215 0.81 ALDH1A1 (0.37) ALDH1A1ALOX12MAPTHTTCACNA1F
SCHEMBL5911640 0.81 ALDH1A1 (0.37) ALDH1A1ALOX12MAPTSMN1; SMN2HTT
Trifluoroacetic Acid SCHEMBL5822014 0.74 CACNA1B (0.35) ALDH1A1ALOX12MAPTSMN1; SMN2HTT

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-20060116390-A1 Hepatitis c virus inhibitors LG LIFE SCIENCES LTD. (KR) 2006-06-01 US disclosed
EP-1633725-A1 HEPATITIS C VIRUS INHIBITORS LG Life Sciences Ltd. (KR) 2006-03-15 EP disclosed
WO-2004111013-A1 HEPATITIS C VIRUS INHIBITORS LG LIFE SCIENCES LTD. (KR) 2004-12-23 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-20060116390-A1 Hepatitis c virus inhibitors HAVCR2, LIPC, FABP1 ALDH1A1 1058/4885ALOX12 1819/4885MAPT 3737/4885

“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.