SCHEMBL5766636

SCHEMBL5766636

CC1=C(C(=O)OCc2ccccc2)C(CF)NC(=S)N1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.62
ALDH1A1 P00352 3/20 0.62
ALOX12 P18054 2/20 0.62
TP53 P04637 2/20 0.62
HSP90AA1 P07900 1/20 0.62
MAPT P10636 1/20 0.62
HTT P42858 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
DHFR P00374 2/20 0.53
ADORA2B P29275 3/20 0.51
TSHR P16473 2/20 0.49
PKM P14618 1/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
ADORA3 P0DMS8 1/20 0.48
LMNA P02545 1/20 0.48
KDM4E B2RXH2 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GPBAR1 Q8TDU6 1/20 0.47

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
SCHEMBL5766699 0.90 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1ALOX12TP53HSP90AA1
SCHEMBL5763392 0.88 HTT (0.50) SMN1; SMN2ALDH1A1ALOX12TP53HSP90AA1
SCHEMBL5766855 0.88 DHFR (0.51) SMN1; SMN2ALDH1A1ALOX12TP53HSP90AA1
SCHEMBL7690924 0.88 ALDH1A1 (0.62) SMN1; SMN2ALDH1A1ALOX12TP53HSP90AA1
SCHEMBL5764501 0.87 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1ALOX12TP53HSP90AA1
SCHEMBL5766842 0.86 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1ALOX12TP53HSP90AA1
SCHEMBL5794209 0.85 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1ALOX12TP53HSP90AA1
SCHEMBL5765952 0.84 ALOX12 (0.61) SMN1; SMN2ALDH1A1ALOX12TP53HSP90AA1
SCHEMBL5767090 0.84 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1ALOX12TP53HSP90AA1
SCHEMBL5766091 0.84 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1ALOX12TP53HSP90AA1

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 SMN1; SMN2 4724/4885ALDH1A1 1058/4885ALOX12 1819/4885

“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.