SCHEMBL5766091

SCHEMBL5766091

CC1=C(C(=O)OCc2ccsc2)C(CF)NC(=S)N1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
ADORA2B P29275 8/20 0.54
POLB P06746 2/20 0.54
ALOX12 P18054 2/20 0.45
SMN1; SMN2 Q16637 2/20 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
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
DHFR P00374 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40

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
SCHEMBL5765472 0.89 ALDH1A1 (0.52) ALDH1A1ADORA2BPOLBALOX12SMN1; SMN2
SCHEMBL5765468 0.89 ALDH1A1 (0.52) ALDH1A1ADORA2BPOLBALOX12SMN1; SMN2
SCHEMBL5911660 0.89 ALDH1A1 (0.52) ALDH1A1ADORA2BPOLBALOX12SMN1; SMN2
SCHEMBL5793448 0.87 ADORA2B (0.50) ALDH1A1ADORA2BPOLBALOX12SMN1; SMN2
SCHEMBL5792768 0.86 ADORA2B (0.49) ALDH1A1ADORA2BPOLBALOX12SMN1; SMN2
SCHEMBL5766636 0.84 SMN1; SMN2 (0.62) ALDH1A1ADORA2BALOX12SMN1; SMN2TP53
SCHEMBL5763392 0.82 HTT (0.50) ALDH1A1ALOX12SMN1; SMN2TP53HSP90AA1
SCHEMBL5794209 0.81 ALDH1A1 (0.48) ALDH1A1ADORA2BPOLBALOX12SMN1; SMN2
SCHEMBL5767090 0.81 ALDH1A1 (0.45) ALDH1A1ADORA2BPOLBALOX12SMN1; SMN2
SCHEMBL5792379 0.80 CACNA1B (0.51) ALDH1A1ADORA2BPOLBALOX12SMN1; SMN2

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 1058/4885ADORA2B 3114/4885POLB 1124/4885

“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.