SCHEMBL6239158

SCHEMBL6239158

CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3cc(OCC(N)=O)ccc3N2)c(O)c2ccccc21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.63
MAPK1 P28482 1/20 0.58
HSD17B10 Q99714 1/20 0.58
NR1I2 O75469 1/20 0.45
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
DPP4 P27487 5/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.36
XBP1 P17861 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
PLK1 P53350 1/20 0.35
APOBEC3G Q9HC16 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
SCHEMBL6231859 0.94 CYP2C9 (0.69) CYP2C9MAPK1HSD17B10NR1I2POLB
SCHEMBL6235277 0.93 MAPK1 (0.59) CYP2C9MAPK1HSD17B10NR1I2MAPT
SCHEMBL6236264 0.92 MAPK1 (0.57) CYP2C9MAPK1HSD17B10NR1I2POLB
SCHEMBL6683230 0.91 CYP2C9 (0.66) CYP2C9MAPK1HSD17B10NR1I2POLB
SCHEMBL6732252 0.90 CYP2C9 (0.65) CYP2C9MAPK1HSD17B10NR1I2DPP4
SCHEMBL6236665 0.90 CYP2C9 (0.78) CYP2C9MAPK1HSD17B10NR1I2POLB
SCHEMBL6239137 0.90 MAPK1 (0.59) CYP2C9MAPK1HSD17B10NR1I2POLB
SCHEMBL6681450 0.90 CYP2C9 (0.66) CYP2C9MAPK1HSD17B10NR1I2MAPT
SCHEMBL1522705 0.89 CYP2C9 (0.56) CYP2C9MAPK1HSD17B10NR1I2MAPT
SCHEMBL6232817 0.89 MAPK1 (0.64) CYP2C9MAPK1HSD17B10NR1I2POLB

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.