SCHEMBL5767491

SCHEMBL5767491

CC1=C(C(=O)OCCc2ccc(C)cc2)CNC(=S)N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CHRM2 P08172 2/20 0.43
CHRM4 P08173 2/20 0.43
CHRM5 P08912 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43
ALDH1A1 P00352 2/20 0.37
MMP2 P08253 1/20 0.36
MMP12 P39900 1/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
DHFR P00374 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.34

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
SCHEMBL5911596 0.90 CHRM5 (0.43) CA1CA2CHRM5CHRM1ALDH1A1
SCHEMBL5911606 0.90 CHRM5 (0.43) CA1CA2CHRM2CHRM4CHRM5
SCHEMBL5766980 0.90 ESR1 (0.44) CA1CA2CHRM2CHRM4CHRM5
SCHEMBL5911255 0.89 NPC1 (0.49) CA1CA2CHRM2CHRM4CHRM5
SCHEMBL5911437 0.88 CNR2 (0.41) CA1CA2CHRM2CHRM4CHRM5
SCHEMBL5911402 0.88 CA1 (0.40) CA1CA2CHRM2CHRM4CHRM5
SCHEMBL5911499 0.87 MMP2 (0.49) CA1CA2ALDH1A1MMP2MMP12
SCHEMBL5911151 0.86 CHRM5 (0.46) CA1CA2CHRM5CHRM1ALDH1A1
SCHEMBL5764155 0.86 CHRM5 (0.48) CA1CA2CHRM5CHRM1ALDH1A1
SCHEMBL5911396 0.83 ADORA2B (0.44) CA1CA2ALDH1A1MAPTKDM4E

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 CA1 4060/4885CA2 4435/4885CHRM2 4825/4885

“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.