SCHEMBL5763764

SCHEMBL5763764

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 2/20 0.46
CACNA1D Q01668 2/20 0.46
CACNA1S Q13698 2/20 0.46
CACNA1C Q13936 2/20 0.46
PTGES O14684 1/20 0.42
ALOX5 P09917 1/20 0.42
ALDH1A1 P00352 5/20 0.42
MMP1 P03956 1/20 0.41
MMP12 P39900 1/20 0.41
PRKCA P17252 1/20 0.41
PRKCD Q05655 1/20 0.41
GUSB P08236 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
GAA P10253 1/20 0.41
CYP2C19 P33261 1/20 0.41
TSHR P16473 1/20 0.41
DHFR P00374 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 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
SCHEMBL5765068 0.90 PRKCA (0.53) CACNA1FCACNA1DCACNA1SCACNA1CPTGES
SCHEMBL5793224 0.87 CACNA1F (0.43) CACNA1FCACNA1DCACNA1SCACNA1CPTGES
SCHEMBL5767223 0.87 ALDH1A1 (0.43) ALDH1A1DHFRCA1CA2MAPT
SCHEMBL5767258 0.86 ALDH1A1 (0.47) ALDH1A1MMP12GAADHFRCA1
SCHEMBL5765288 0.85 ALDH1A1 (0.44) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL5767506 0.83 ALDH1A1 (0.40) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL5764738 0.82 ALDH1A1 (0.44) ALDH1A1GAADHFRCA1CA2
SCHEMBL5767327 0.82 ALDH1A1 (0.43) ALDH1A1GAADHFRCA1CA2
SCHEMBL5821119 0.82 ALDH1A1 (0.43) ALDH1A1GAADHFRCA1CA2
SCHEMBL5767067 0.81 CACNA1F (0.53) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1

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.