SCHEMBL5880960

SCHEMBL5880960

CS(=O)(=O)c1ccc(CCC2(C3CCCC3)CC(=O)CC(=O)O2)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.35
PTGS1 P23219 4/20 0.34
EPHX1 P07099 1/20 0.34
KCNJ1 P48048 1/20 0.32
KCNH2 Q12809 1/20 0.32
MEN1 O00255 2/20 0.32
DRD3 P35462 1/20 0.31
GAA P10253 1/20 0.31
MMP13 P45452 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KMT2A Q03164 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
SCHEMBL5880850 0.88 HTR2A (0.35) MEN1SMN1; SMN2KMT2A
SCHEMBL13963704 0.86 RAB9A (0.33) MEN1GAAMMP13RAB9ASMN1; SMN2
SCHEMBL4478078 0.86 PSEN1 (0.37) MEN1SMN1; SMN2
SCHEMBL3985370 0.85 KDM4E (0.33) RAB9ASMN1; SMN2
SCHEMBL5880732 0.83 RAB9A (0.33) GAAMMP13RAB9ASMN1; SMN2
SCHEMBL3986713 0.83 GAA (0.33) GAAMMP13RAB9ASMN1; SMN2
SCHEMBL5880733 0.83 RAB9A (0.33) GAAMMP13RAB9ASMN1; SMN2
SCHEMBL13964063 0.83 RAB9A (0.33) GAAMMP13RAB9ASMN1; SMN2
SCHEMBL5880848 0.83 GAA (0.34) EPHX1GAAMMP13RAB9ASMN1; SMN2
SCHEMBL1582740 0.83 ADRA1D (0.32)

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 PTGS2 2340/4885PTGS1 914/4885EPHX1 2838/4885

“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.