SCHEMBL6235993

SCHEMBL6235993

O=C(COc1ccc2c(c1)S(=O)(=O)N=C(c1c(O)c3cc(F)ccc3n(CCC3CC3)c1=O)N2)N1CCCC1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.82
NR1I2 O75469 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PLK1 P53350 3/20 0.35
AKR1A1 P14550 1/20 0.35
AKR1B1 P15121 1/20 0.35
RAB9A P51151 2/20 0.33
CPT1A P50416 1/20 0.33
PDK2 Q15119 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 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
SCHEMBL6235635 0.95 CYP2C9 (0.80) CYP2C9NR1I2L3MBTL1MAPK1HSD17B10
SCHEMBL6235893 0.94 CYP2C9 (0.79) CYP2C9NR1I2L3MBTL1MAPK1HSD17B10
SCHEMBL6232681 0.91 CYP2C9 (0.88) CYP2C9NR1I2L3MBTL1MAPK1HSD17B10
SCHEMBL6234512 0.90 CYP2C9 (1.00) CYP2C9NR1I2L3MBTL1MAPK1HSD17B10
SCHEMBL6732550 0.88 CYP2C9 (0.83) CYP2C9NR1I2L3MBTL1MAPK1HSD17B10
SCHEMBL6285555 0.88 CYP2C9 (0.83) CYP2C9NR1I2L3MBTL1MAPK1HSD17B10
SCHEMBL6688874 0.88 CYP2C9 (0.88) CYP2C9NR1I2L3MBTL1MAPK1HSD17B10
SCHEMBL6236224 0.86 CYP2C9 (0.80) CYP2C9NR1I2L3MBTL1MAPK1HSD17B10
SCHEMBL6234934 0.86 CYP2C9 (0.79) CYP2C9NR1I2L3MBTL1MAPK1HSD17B10
SCHEMBL6267035 0.85 CYP2C9 (0.90) 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 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 1218/4885NR1I2 1798/4885L3MBTL1 3952/4885

“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.