SCHEMBL8239242

SCHEMBL8239242

O=c1c(C2=NS(=O)(=O)c3cccc(O)c3N2)c(O)c2cc(F)ccc2n1CCCC1CC1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.71
NR1I2 O75469 1/20 0.71
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PLK1 P53350 3/20 0.34
PTGDR2 Q9Y5Y4 5/20 0.33
PER2 O15055 2/20 0.33
NT5E P21589 1/20 0.31
CXCR2 P25025 1/20 0.31
CRY1 Q16526 2/20 0.31
CRY2 Q49AN0 2/20 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
SCHEMBL14366998 0.89 CYP2C9 (0.90) CYP2C9NR1I2MAPK1HSD17B10PLK1
SCHEMBL5089690 0.83 CYP2C9 (1.00) CYP2C9NR1I2MAPK1HSD17B10PLK1
SCHEMBL6687554 0.82 CYP2C9 (0.79) CYP2C9NR1I2MAPK1HSD17B10PLK1
SCHEMBL7077857 0.81 CYP2C9 (0.78) CYP2C9NR1I2MAPK1HSD17B10PLK1
SCHEMBL6690316 0.79 CYP2C9 (0.83) CYP2C9NR1I2MAPK1HSD17B10PLK1
SCHEMBL6693467 0.79 CYP2C9 (0.79) CYP2C9NR1I2MAPK1HSD17B10PLK1
SCHEMBL6686262 0.79 CYP2C9 (0.67) CYP2C9NR1I2MAPK1HSD17B10PLK1
SCHEMBL6693468 0.79 CYP2C9 (0.81) CYP2C9NR1I2MAPK1HSD17B10PLK1
SCHEMBL6232054 0.78 CYP2C9 (0.80) CYP2C9NR1I2MAPK1HSD17B10PLK1
SCHEMBL7131813 0.78 CYP2C9 (0.80) CYP2C9NR1I2MAPK1HSD17B10PLK1

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-20070274951-A1 Combinations comprising HCV protease inhibitor(s) and HCV polymerase inhibitor(s), and methods of treatment related thereto SCHERING CORPORATION 2007-11-29 US disclosed
US-20070274951-A1 Combinations comprising HCV protease inhibitor(s) and HCV polymerase inhibitor(s), and methods of treatment related thereto SCHERING CORPORATION 2007-11-29 US disclosed
WO-2007092616-A2 COMBINATIONS COMPRISING HCV PROTEASE INHIBITOR(S) AND HCV POLYMERASE INHIBITOR(S), AND METHODS OF TREATMENT RELATED THERETO SCHERING CORPORATION (US) 2007-08-16 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-20070274951-A1 Combinations comprising HCV protease inhibitor(s) and HCV polymerase inhibitor(s), and methods of treatment related thereto PREP, CTRL, SERPINB1 CYP2C9 2224/4885NR1I2 2880/4885MAPK1 3574/4885

“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.