SCHEMBL5793380

SCHEMBL5793380

CC1=C(C(=O)OCCc2cccc(Cl)c2)C(COC(=O)OCCOC(=O)c2ccccc2)NC(=S)N1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
DHFR P00374 2/20 0.40
ALOX12 P18054 2/20 0.40
TP53 P04637 1/20 0.40
HSP90AA1 P07900 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CACNA1B Q00975 2/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
LMNA P02545 1/20 0.38
CACNA1F O60840 1/20 0.37
CACNA1D Q01668 1/20 0.37
CACNA1S Q13698 1/20 0.37
CACNA1C Q13936 1/20 0.37

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 0.91 CACNA1F (0.43) ALDH1A1SMN1; SMN2DHFRALOX12MAPT
SCHEMBL5793568 0.88 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2DHFRALOX12TP53
SCHEMBL5767392 0.87 CA1 (0.42) ALDH1A1SMN1; SMN2DHFRALOX12TP53
SCHEMBL5911496 0.86 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2DHFRALOX12TP53
SCHEMBL5765288 0.85 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2DHFRALOX12TP53
SCHEMBL5766350 0.84 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2DHFRALOX12TP53
SCHEMBL5794068 0.83 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2DHFRALOX12TP53
SCHEMBL5911640 0.83 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2ALOX12TP53HSP90AA1
SCHEMBL5911215 0.83 ALDH1A1 (0.37) ALDH1A1DHFRALOX12MAPTHTT
SCHEMBL5795319 0.82 LMNA (0.51) ALDH1A1SMN1; SMN2TP53MAPTHTT

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 1058/4885SMN1; SMN2 4724/4885DHFR 2581/4885

“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.