SCHEMBL6233826

SCHEMBL6233826

COc1ccc2c(c1)S(=O)(=O)N=C(c1c(O)c3cc(O)ccc3n(CCC(C)C)c1=O)N2

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.56
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
NR1I2 O75469 1/20 0.47
CHEK1 O14757 1/20 0.38
WEE1 P30291 1/20 0.38
CNR2 P34972 4/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
PDE5A O76074 1/20 0.34
MYLK Q15746 1/20 0.33

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
SCHEMBL6732912 0.92 MAPK1 (0.57) CYP2C9MAPK1HSD17B10NR1I2CHEK1
SCHEMBL6232817 0.91 MAPK1 (0.64) CYP2C9MAPK1HSD17B10NR1I2PDE5A
SCHEMBL6235652 0.87 MAPK1 (0.68) CYP2C9MAPK1HSD17B10NR1I2CHEK1
SCHEMBL6732332 0.86 CYP2C9 (0.61) CYP2C9MAPK1HSD17B10NR1I2CHEK1
SCHEMBL6233801 0.86 MAPK1 (0.53) CYP2C9MAPK1HSD17B10NR1I2CHEK1
Bromide SCHEMBL6686682 0.86 MAPK1 (0.52) CYP2C9MAPK1HSD17B10NR1I2CHEK1
SCHEMBL6236195 0.85 MAPK1 (0.68) CYP2C9MAPK1HSD17B10NR1I2CHEK1
SCHEMBL6231131 0.85 CYP2C9 (0.54) CYP2C9MAPK1HSD17B10NR1I2CHEK1
SCHEMBL6231859 0.85 CYP2C9 (0.69) CYP2C9MAPK1HSD17B10NR1I2
SCHEMBL1523248 0.84 CYP2C9 (0.47) CYP2C9MAPK1HSD17B10NR1I2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040147739-A1 Novel anti-infectives SMITHKLINE BEECHAM CORPORATION 2004-07-29 US claimed
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 1218/4885MAPK1 3699/4885HSD17B10 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.