SCHEMBL5880809

SCHEMBL5880809

COc1ccc(CCC2(C3CCCC3)CC(O)=C(Sc3nnc(O)n3C)C(=O)O2)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
HTT P42858 2/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
GFER P55789 1/20 0.35
DRD2 P14416 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
DAO P14920 1/20 0.32
KMT2A Q03164 5/20 0.32
MEN1 O00255 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HRH3 Q9Y5N1 2/20 0.31
CHRM3 P20309 1/20 0.31
BACE1 P56817 1/20 0.31

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
SCHEMBL5880811 0.85 L3MBTL1 (0.38) TSHRHTTMAPTHPGDGFER
SCHEMBL5880859 0.83 DCUN1D1 (0.40) TSHRMAPTHPGDGFERALDH1A1
SCHEMBL5880812 0.83 MAPT (0.41) TSHRHTTMAPTHPGDMAPK1
SCHEMBL7147749 0.81 ALDH1A1 (0.40) MAPTHPGDKMT2AMEN1SMN1; SMN2
SCHEMBL3994178 0.80 DRD1 (0.33) KMT2AALDH1A1
SCHEMBL5880793 0.79 NPC1 (0.32) NPSR1SMN1; SMN2ALDH1A1KDM4EBACE1
SCHEMBL3988334 0.78 NPC1 (0.34) DRD2POLBALDH1A1
SCHEMBL3992344 0.78 PDE5A (0.33) ALDH1A1
SCHEMBL3987969 0.78 OPRD1 (0.32) TSHRHTTKMT2AMEN1SMN1; SMN2
SCHEMBL5880752 0.77 KMT2A (0.41) HPGDMAPK1NPSR1KMT2ASMN1; SMN2

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-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
WO-2003095441-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2003-11-20 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-20040023958-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same POLRMT, RNGTT, RNASE1 TSHR 4398/4885HTT 4152/4885MAPT 2903/4885

“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.