SCHEMBL6237855

SCHEMBL6237855

NCc1ccc2c(c1)S(=O)(=O)N=C(c1c(O)c3ccccc3n(CCC3CC3)c1=O)N2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.66
NR1I2 O75469 1/20 0.66
HSD17B10 Q99714 2/20 0.54
MAPK1 P28482 1/20 0.54
KDM4E B2RXH2 7/20 0.34
GAA P10253 3/20 0.34
HIF1A Q16665 1/20 0.34
ALDH1A1 P00352 5/20 0.33
RECQL P46063 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
CASP6 P55212 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 2/20 0.32
PARP1 P09874 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
PTGER4 P35408 1/20 0.32

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
SCHEMBL6693292 0.90 CYP2C9 (0.70) CYP2C9NR1I2HSD17B10MAPK1KDM4E
SCHEMBL6732547 0.89 CYP2C9 (0.69) CYP2C9NR1I2HSD17B10MAPK1KDM4E
SCHEMBL6209924 0.88 CYP2C9 (0.80) CYP2C9NR1I2HSD17B10MAPK1KDM4E
SCHEMBL6209607 0.87 CYP2C9 (0.66) CYP2C9NR1I2HSD17B10MAPK1KDM4E
SCHEMBL6738292 0.86 CYP2C9 (0.65) CYP2C9NR1I2HSD17B10MAPK1KDM4E
SCHEMBL6684550 0.84 CYP2C9 (0.82) CYP2C9NR1I2HSD17B10MAPK1KDM4E
SCHEMBL6273626 0.84 CYP2C9 (0.63) CYP2C9NR1I2HSD17B10MAPK1KDM4E
SCHEMBL6732235 0.84 CYP2C9 (0.63) CYP2C9NR1I2HSD17B10MAPK1KDM4E
SCHEMBL6739381 0.84 CYP2C9 (0.60) CYP2C9NR1I2HSD17B10MAPK1KDM4E
SCHEMBL6736317 0.83 CYP2C9 (0.62) CYP2C9NR1I2HSD17B10MAPK1CNR1

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
EP-1401443-A4 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORP (US) 2005-10-26 EP disclosed
US-20040147739-A1 Novel anti-infectives SMITHKLINE BEECHAM CORPORATION 2004-07-29 US disclosed
EP-1401443-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2004-03-31 EP disclosed
WO-2002098424-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2002-12-12 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-20040147739-A1 Novel anti-infectives RPL5, RPL7, RPL35 CYP2C9 1218/4885NR1I2 1798/4885HSD17B10 1428/4885

“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.