SCHEMBL5398951

SCHEMBL5398951

COC(=O)CC(=O)CC=S

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
TSHR P16473 4/20 0.42
HSD17B10 Q99714 2/20 0.39
LMNA P02545 3/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.33
POLA1 P09884 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
TET2 Q6N021 1/20 0.32
MEN1 O00255 1/20 0.32
CA12 O43570 1/20 0.31
CA14 Q9ULX7 1/20 0.31
RECQL P46063 1/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
HCAR2 Q8TDS4 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
SCHEMBL1263493 0.82
SCHEMBL2589273 0.78 MGAM (0.46) MGAMGAASIMGAM2TSHR
SCHEMBL28936753 0.77 MGAM (0.41) MGAMGAASIMGAM2TSHR
SCHEMBL5398039 0.77 TSHR (0.44) MGAMGAASIMGAM2TSHR
SCHEMBL12136578 0.76 LMNA (0.45) MGAMGAASIMGAM2TSHR
SCHEMBL27976 0.76 MGAM (0.61) MGAMGAASIMGAM2TSHR
SCHEMBL19134614 0.74 TSHR (0.46) MGAMGAASIMGAM2TSHR
SCHEMBL15688315 0.73 MGAM (0.58) MGAMGAASIMGAM2TSHR
SCHEMBL7173977 0.73 MGAM (0.41) MGAMGAASIMGAM2TSHR
SCHEMBL7251209 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7217730-B2 Method for the use of pyranoindole derivatives to treat infection with Hepatitis C virus WYETH (US) 2007-05-15 US disclosed
EP-1509225-A1 METHOD FOR THE USE OF PYRANOINDOLE DERIVATIVES TO TREAT INFECTION WITH HEPATITIS C VIRUS Wyeth (US) 2005-03-02 EP disclosed
US-20040082643-A1 Method for the use of pyranoindole derivatives to treat infection with Hepatitis C virus WYETH (US) 2004-04-29 US disclosed
WO-2003099275-A1 METHOD FOR THE USE OF PYRANOINDOLE DERIVATIVES TO TREAT INFECTION WITH HEPATITIS C VIRUS WYETH (US) 2003-12-04 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-20040082643-A1 Method for the use of pyranoindole derivatives to treat infection with Hepatitis C virus HAVCR2, HCCS, ZC3HAV1 MGAM 4346/4885GAA 4301/4885SI 2467/4885

“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.