SCHEMBL8239358

SCHEMBL8239358

CCCCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc21

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.74
MAPK1 P28482 1/20 0.74
NR1I2 O75469 1/20 0.59
CYP2C9 P11712 1/20 0.59
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 8/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 3/20 0.51
LMNA P02545 3/20 0.51
GAA P10253 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
PGR P06401 1/20 0.46
RORA P35398 1/20 0.46
RORC P51449 1/20 0.46
RORB Q92753 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TP53 P04637 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL6211629 0.91 HSD17B10 (0.72) HSD17B10MAPK1NR1I2CYP2C9ALDH1A1
SCHEMBL6732624 0.90 HSD17B10 (0.71) HSD17B10MAPK1NR1I2CYP2C9ALDH1A1
SCHEMBL6736757 0.89 HSD17B10 (0.70) HSD17B10MAPK1NR1I2CYP2C9ALDH1A1
SCHEMBL6739989 0.89 HSD17B10 (0.74) HSD17B10MAPK1NR1I2CYP2C9ALDH1A1
SCHEMBL6235919 0.88 HSD17B10 (0.68) HSD17B10MAPK1NR1I2CYP2C9ALDH1A1
SCHEMBL6235728 0.88 HSD17B10 (0.68) HSD17B10MAPK1NR1I2CYP2C9ALDH1A1
SCHEMBL6267293 0.88 HSD17B10 (0.68) HSD17B10MAPK1NR1I2CYP2C9ALDH1A1
SCHEMBL6235373 0.88 HSD17B10 (0.74) HSD17B10MAPK1NR1I2CYP2C9ALDH1A1
SCHEMBL6235081 0.87 HSD17B10 (0.67) HSD17B10MAPK1NR1I2CYP2C9ALDH1A1
SCHEMBL6209102 0.87 MAPK1 (0.65) HSD17B10MAPK1NR1I2CYP2C9ALDH1A1

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 HSD17B10 1967/4885MAPK1 3574/4885NR1I2 2880/4885

“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.