SCHEMBL5766768

SCHEMBL5766768

CC1=C(C(=O)OCCc2cc(C)cc(C)c2)C(CO)NC(=S)N1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44
DHFR P00374 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
ALOX12 P18054 3/20 0.43
TP53 P04637 1/20 0.43
HSP90AA1 P07900 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ADORA2B P29275 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.39

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
SCHEMBL5767258 0.90 ALDH1A1 (0.47) ALDH1A1CA1CA2LMNAGAA
SCHEMBL5765306 0.88 ALDH1A1 (0.43) ALDH1A1CA1CA2LMNAGAA
SCHEMBL5765665 0.88 CA1 (0.54) ALDH1A1CA1CA2LMNAGAA
SCHEMBL5765692 0.84 ALDH1A1 (0.46) ALDH1A1CA1CA2LMNAGAA
SCHEMBL5765826 0.84 ALDH1A1 (0.47) ALDH1A1CA1CA2LMNADHFR
SCHEMBL5765288 0.83 ALDH1A1 (0.44) ALDH1A1CA1CA2LMNAGAA
SCHEMBL5767639 0.83 ALDH1A1 (0.44) ALDH1A1CA1CA2LMNAGAA
SCHEMBL5764738 0.83 ALDH1A1 (0.44) ALDH1A1CA1CA2LMNAGAA
SCHEMBL5821119 0.82 ALDH1A1 (0.43) ALDH1A1CA1CA2LMNAGAA
SCHEMBL5765027 0.82 ALDH1A1 (0.43) ALDH1A1CA1CA2LMNAGAA

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.