SCHEMBL5765068

SCHEMBL5765068

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.53
PRKCD Q05655 1/20 0.53
MMP12 P39900 2/20 0.53
MMP1 P03956 1/20 0.53
PTGES O14684 1/20 0.49
TSHR P16473 1/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 1/20 0.48
HSP90AA1 P07900 1/20 0.48
ALOX12 P18054 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CACNA1F O60840 2/20 0.47
CACNA1D Q01668 2/20 0.47
CACNA1S Q13698 2/20 0.47
CACNA1C Q13936 2/20 0.47
GPBAR1 Q8TDU6 2/20 0.46

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 0.90 CACNA1F (0.46) PRKCAPRKCDMMP12MMP1PTGES
SCHEMBL5821493 0.85 ALDH1A1 (0.46) MMP12PTGESTSHRALDH1A1MAPT
SCHEMBL5766699 0.83 SMN1; SMN2 (0.65) TSHRALDH1A1MAPTSMN1; SMN2TP53
SCHEMBL5766400 0.81 ALDH1A1 (0.58) MMP12MMP1ALDH1A1MAPTSMN1; SMN2
SCHEMBL5794274 0.80 ALDH1A1 (0.47) MMP12MMP1ALDH1A1MAPTSMN1; SMN2
SCHEMBL5807030 0.78 ALDH1A1 (0.45) MMP12PTGESTSHRALDH1A1MAPT
SCHEMBL5766800 0.78 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2TP53HSP90AA1
SCHEMBL5911482 0.78 MMP12 (0.51) PRKCAPRKCDMMP12MMP1PTGES
SCHEMBL5793224 0.78 CACNA1F (0.43) MMP12MMP1PTGESTSHRALDH1A1
SCHEMBL5764443 0.77 ALDH1A1 (0.57) ALDH1A1MAPTSMN1; SMN2TP53HSP90AA1

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 PRKCA 326/4885PRKCD 1418/4885MMP12 1521/4885

“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.