SCHEMBL5766400

SCHEMBL5766400

CC1=C(C(=O)OCc2cccc(Oc3ccccc3)c2)C(CO)NC(=S)N1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
ALOX12 P18054 5/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
HTT P42858 3/20 0.58
NPSR1 Q6W5P4 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
TP53 P04637 1/20 0.58
HSP90AA1 P07900 1/20 0.58
MAPT P10636 1/20 0.58
MMP1 P03956 2/20 0.54
MMP2 P08253 1/20 0.54
MMP9 P14780 1/20 0.54
MMP12 P39900 1/20 0.54
LMNA P02545 4/20 0.51
DHFR P00374 2/20 0.47
TDP1 Q9NUW8 2/20 0.45
ADRA2A P08913 1/20 0.45
CNR1 P21554 1/20 0.45
ATM Q13315 1/20 0.45
PKM P14618 1/20 0.44

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 0.88 SMN1; SMN2 (0.65) ALDH1A1ALOX12SMN1; SMN2HTTNPSR1
SCHEMBL5764443 0.81 ALDH1A1 (0.57) ALDH1A1ALOX12SMN1; SMN2HTTNPSR1
SCHEMBL5765068 0.81 PRKCA (0.53) ALDH1A1ALOX12SMN1; SMN2HTTNPSR1
SCHEMBL5766636 0.79 SMN1; SMN2 (0.62) ALDH1A1ALOX12SMN1; SMN2HTTNPSR1
SCHEMBL7690924 0.79 ALDH1A1 (0.62) ALDH1A1ALOX12SMN1; SMN2HTTNPSR1
SCHEMBL5821493 0.79 ALDH1A1 (0.46) ALDH1A1ALOX12SMN1; SMN2HTTNPSR1
SCHEMBL5764501 0.78 ALDH1A1 (0.61) ALDH1A1ALOX12SMN1; SMN2HTTNPSR1
SCHEMBL5766800 0.78 ALDH1A1 (0.47) ALDH1A1ALOX12SMN1; SMN2HTTNPSR1
SCHEMBL5794274 0.78 ALDH1A1 (0.47) ALDH1A1ALOX12SMN1; SMN2HTTNPSR1
SCHEMBL5767471 0.77 DHFR (0.51) ALDH1A1ALOX12SMN1; SMN2HTTNPSR1

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

“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.