SCHEMBL5767258

SCHEMBL5767258

CC1=C(C(=O)OCCc2cccc(C)c2)C(CO)NC(=S)N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
ALOX12 P18054 3/20 0.45
TP53 P04637 1/20 0.45
HSP90AA1 P07900 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
DHFR P00374 3/20 0.44
LMNA P02545 2/20 0.43
ADORA2B P29275 2/20 0.42
GAA P10253 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP12 P39900 1/20 0.41
KMT2A Q03164 1/20 0.41
CHRM5 P08912 1/20 0.41

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
SCHEMBL5766768 0.90 ALDH1A1 (0.47) ALDH1A1CA1CA2SMN1; SMN2ALOX12
SCHEMBL5765288 0.89 ALDH1A1 (0.44) ALDH1A1CA1CA2SMN1; SMN2ALOX12
SCHEMBL5765665 0.87 CA1 (0.54) ALDH1A1CA1CA2SMN1; SMN2ALOX12
SCHEMBL5763764 0.86 CACNA1F (0.46) ALDH1A1CA1CA2SMN1; SMN2ALOX12
SCHEMBL5767067 0.86 CACNA1F (0.53) ALDH1A1MAPTL3MBTL1LMNAKMT2A
SCHEMBL5767223 0.86 ALDH1A1 (0.43) ALDH1A1CA1CA2SMN1; SMN2ALOX12
SCHEMBL5764738 0.85 ALDH1A1 (0.44) ALDH1A1CA1CA2SMN1; SMN2ALOX12
SCHEMBL5767639 0.85 ALDH1A1 (0.44) ALDH1A1CA1CA2SMN1; SMN2ALOX12
SCHEMBL5821119 0.84 ALDH1A1 (0.43) ALDH1A1CA1CA2SMN1; SMN2ALOX12
SCHEMBL5765027 0.84 ALDH1A1 (0.43) ALDH1A1CA1CA2SMN1; SMN2ALOX12

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 1058/4885CA1 4060/4885CA2 4435/4885

“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.