SCHEMBL5880834

SCHEMBL5880834

Cc1cc(SC2=C(O)CC(C3CCCC3)(C3CCCC3)OC2=O)c(C(C)(C)C)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLNR O43193 1/20 0.36
NR1I2 O75469 1/20 0.36
ABCB11 O95342 1/20 0.36
PGR P06401 1/20 0.36
CTSD P07339 1/20 0.36
CHRM2 P08172 1/20 0.36
ADRA2A P08913 1/20 0.36
PGA5 P0DJD9 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CTSE P14091 1/20 0.36
GABRA1 P14867 1/20 0.36
ADRA2C P18825 1/20 0.36
DRD1 P21728 1/20 0.36
HTR2A P28223 1/20 0.36
AGTR1 P30556 1/20 0.36
CCKAR P32238 1/20 0.36
ADRA1A P35348 1/20 0.36
PTGS2 P35354 1/20 0.36
PPARG P37231 1/20 0.36
OPRD1 P41143 1/20 0.36

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
SCHEMBL7364625 0.79 MLNR (0.43) MLNRNR1I2ABCB11PGRCTSD
SCHEMBL7363635 0.79 MLNR (0.42) MLNRNR1I2ABCB11PGRCTSD
SCHEMBL5880757 0.74 LDHA (0.35)
SCHEMBL7152149 0.72 LDHA (0.34)
SCHEMBL5880950 0.71 CNR2 (0.32) CNR2
SCHEMBL5880910 0.70 MEN1 (0.41) CNR1CNR2KITPOLBSLC40A1
SCHEMBL8014578 0.63 MLNR (0.32) MLNRNR1I2ABCB11PGRCTSD
SCHEMBL5880912 0.62 LDHA (0.31)
SCHEMBL5880799 0.61 LDHA (0.30)
SCHEMBL6297884 0.60 LDHA (0.34)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115658-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase AGOURON PHARMACEUTICALS, INC. (US) 2006-10-03 US disclosed
US-20040023958-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2004-02-05 US 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-20040023958-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same POLRMT, RNGTT, RNASE1 MLNR 3196/4885NR1I2 649/4885ABCB11 1684/4885

“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.