SCHEMBL5793224

SCHEMBL5793224

CC1=C(C(=O)OCCc2cccc(C(F)(F)F)c2)C(COC(=O)C(C)N)NC(=S)N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 2/20 0.43
CACNA1D Q01668 2/20 0.43
CACNA1S Q13698 2/20 0.43
CACNA1C Q13936 2/20 0.43
CYP3A4 P08684 3/20 0.39
USP2 O75604 2/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
CYP1A2 P05177 2/20 0.39
NR1I2 O75469 1/20 0.39
ADRB1 P08588 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
CHRM3 P20309 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 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
SCHEMBL5763764 0.87 CACNA1F (0.46) CACNA1FCACNA1DCACNA1SCACNA1CCYP3A4
SCHEMBL5765068 0.78 PRKCA (0.53) CACNA1FCACNA1DCACNA1SCACNA1CPTGES
SCHEMBL5767392 0.75 CA1 (0.42) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL5767223 0.75 ALDH1A1 (0.43) CHRM3ALDH1A1
SCHEMBL5767258 0.74 ALDH1A1 (0.47) ALDH1A1GAAMMP12
SCHEMBL5764699 0.74 CACNA1F (0.43) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL5794068 0.73 ALDH1A1 (0.42) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL5793380 0.73 ALDH1A1 (0.44) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL5765288 0.73 ALDH1A1 (0.44) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL5795319 0.72 LMNA (0.51) CACNA1FCACNA1DCACNA1SCACNA1CCYP3A4

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 CACNA1F 4796/4885CACNA1D 4868/4885CACNA1S 4871/4885

“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.