SCHEMBL6235635

SCHEMBL6235635

O=C(COc1ccc2c(c1)S(=O)(=O)N=C(c1c(O)c3cc(F)ccc3n(CCC3CC3)c1=O)N2)N1CCNCC1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.80
NR1I2 O75469 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.37
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SYK P43405 1/20 0.36
PLK1 P53350 3/20 0.35
TPSAB1 Q15661 1/20 0.34
TPSD1 Q9BZJ3 1/20 0.34
TPSG1 Q9NRR2 1/20 0.34
FLT3 P36888 1/20 0.33
ALK Q9UM73 1/20 0.32
AKR1A1 P14550 1/20 0.32
AKR1B1 P15121 1/20 0.32
CPT1A P50416 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
ADORA2A P29274 2/20 0.32
ADORA2B P29275 2/20 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
SCHEMBL6235993 0.95 CYP2C9 (0.82) CYP2C9NR1I2L3MBTL1MAPK1HSD17B10
SCHEMBL6235893 0.93 CYP2C9 (0.79) CYP2C9NR1I2L3MBTL1MAPK1HSD17B10
SCHEMBL6232681 0.90 CYP2C9 (0.88) CYP2C9NR1I2L3MBTL1MAPK1HSD17B10
SCHEMBL6234512 0.89 CYP2C9 (1.00) CYP2C9NR1I2L3MBTL1MAPK1HSD17B10
SCHEMBL6285555 0.87 CYP2C9 (0.83) CYP2C9NR1I2L3MBTL1MAPK1HSD17B10
SCHEMBL6732550 0.87 CYP2C9 (0.83) CYP2C9NR1I2L3MBTL1MAPK1HSD17B10
SCHEMBL6688874 0.87 CYP2C9 (0.88) CYP2C9NR1I2L3MBTL1MAPK1HSD17B10
SCHEMBL6236224 0.85 CYP2C9 (0.80) CYP2C9NR1I2L3MBTL1MAPK1HSD17B10
SCHEMBL6234934 0.85 CYP2C9 (0.79) CYP2C9NR1I2L3MBTL1MAPK1HSD17B10
SCHEMBL6231329 0.84 CYP2C9 (0.75) CYP2C9NR1I2L3MBTL1MAPK1HSD17B10

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 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

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.