SCHEMBL5764155

SCHEMBL5764155

CC1=C(C(=O)OCCc2cccc(C)c2)CNC(=S)N1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 3/20 0.48
CHRM1 P11229 3/20 0.48
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
MMP12 P39900 2/20 0.42
ALOX5 P09917 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ALDH1A1 P00352 3/20 0.37
TYR P14679 1/20 0.37
LPAR1 Q92633 1/20 0.36
MAPT P10636 2/20 0.36
ALOX12 P18054 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DAO P14920 1/20 0.35
MMP1 P03956 1/20 0.35
NR3C2 P08235 1/20 0.35
DHFR P00374 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL5911423 0.89 MAOB (0.39) CHRM5CHRM1MMP2MMP9MMP12
SCHEMBL5911360 0.88 MMP2 (0.55) MMP2MMP9MMP12ALDH1A1MAPT
SCHEMBL5911402 0.88 CA1 (0.40) CHRM5CHRM1MMP2MMP9MMP12
SCHEMBL5766980 0.88 ESR1 (0.44) CHRM5CHRM1MMP2MMP9MMP12
SCHEMBL5767491 0.86 CA1 (0.47) CHRM5CHRM1MMP2MMP12CA1
SCHEMBL5911354 0.85 CACNA1C (0.47) CHRM1ALDH1A1MAPTMEN1KMT2A
SCHEMBL5911512 0.81 MMP1 (0.50) CHRM5CHRM1MMP2MMP12ALDH1A1
SCHEMBL5911596 0.81 CHRM5 (0.43) CHRM5CHRM1CA1CA2ALDH1A1
SCHEMBL5911606 0.81 CHRM5 (0.43) CHRM5CHRM1CA1CA2ALDH1A1
SCHEMBL5911444 0.81 ALDH1A1 (0.42) MMP2MMP9MMP12CA1CA2

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 CHRM5 4780/4885CHRM1 4676/4885MMP2 935/4885

“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.