SCHEMBL6209607

SCHEMBL6209607

O=C(O)c1ccc2c(c1)S(=O)(=O)N=C(c1c(O)c3ccccc3n(CCC3CC3)c1=O)N2

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.66
NR1I2 O75469 1/20 0.66
MAPK1 P28482 1/20 0.54
HSD17B10 Q99714 1/20 0.54
PTGER4 P35408 7/20 0.44
HIF1A Q16665 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CNR2 P34972 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL6732235 0.90 CYP2C9 (0.63) CYP2C9NR1I2MAPK1HSD17B10PTGER4
SCHEMBL6273626 0.90 CYP2C9 (0.63) CYP2C9NR1I2MAPK1HSD17B10PTGER4
SCHEMBL6739381 0.90 CYP2C9 (0.60) CYP2C9NR1I2MAPK1HSD17B10HIF1A
SCHEMBL6693292 0.90 CYP2C9 (0.70) CYP2C9NR1I2MAPK1HSD17B10PTGER4
SCHEMBL6736317 0.90 CYP2C9 (0.62) CYP2C9NR1I2MAPK1HSD17B10CNR2
SCHEMBL6689772 0.90 CYP2C9 (0.78) CYP2C9NR1I2MAPK1HSD17B10PTGER4
SCHEMBL6732547 0.89 CYP2C9 (0.69) CYP2C9NR1I2MAPK1HSD17B10PTGER4
SCHEMBL6209924 0.88 CYP2C9 (0.80) CYP2C9NR1I2MAPK1HSD17B10HIF1A
SCHEMBL6739156 0.88 CYP2C9 (0.59) CYP2C9NR1I2MAPK1HSD17B10PTGER4
SCHEMBL6237855 0.87 CYP2C9 (0.66) CYP2C9NR1I2MAPK1HSD17B10PTGER4

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 10 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 claimed
US-20040147739-A1 Novel anti-infectives SMITHKLINE BEECHAM CORPORATION 2004-07-29 US claimed
EP-1401443-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2004-03-31 EP claimed
WO-2002098424-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2002-12-12 WO claimed
EP-1401443-A4 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORP (US) 2005-10-26 EP disclosed
EP-1501830-A1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES Actelion Pharmaceuticals Ltd. (CH) 2005-02-02 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-2003093267-A1 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2003-11-13 WO 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 1798/4885MAPK1 3699/4885

“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.