SCHEMBL6239808

SCHEMBL6239808

CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3cc(C(N)=O)ccc3N2)c(O)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.50
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
NR1I2 O75469 1/20 0.44
SIRT2 Q8IXJ6 2/20 0.35
MAPT P10636 4/20 0.34
POLB P06746 3/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MPI P34949 1/20 0.34
BLM P54132 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CNR2 P34972 1/20 0.34
NPC1 O15118 3/20 0.33
ATM Q13315 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
PLA2G2A P14555 1/20 0.31

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
SCHEMBL6233346 0.89 MAPK1 (0.49) CYP2C9MAPK1HSD17B10NR1I2MAPT
SCHEMBL6235865 0.88 CYP2C9 (0.53) CYP2C9MAPK1HSD17B10NR1I2MAPT
SCHEMBL6233742 0.88 MAPK1 (0.62) CYP2C9MAPK1HSD17B10NR1I2MAPT
SCHEMBL6736455 0.88 MAPK1 (0.64) CYP2C9MAPK1HSD17B10NR1I2MAPT
SCHEMBL27585690 0.85 MAPK1 (0.65) CYP2C9MAPK1HSD17B10NR1I2MAPT
SCHEMBL6234425 0.81 MAPK1 (0.53) CYP2C9MAPK1HSD17B10NR1I2MAPT
SCHEMBL6736663 0.81 MAPK1 (0.64) CYP2C9MAPK1HSD17B10NR1I2MAPT
SCHEMBL6232673 0.81 HSD17B10 (0.64) CYP2C9MAPK1HSD17B10NR1I2MAPT
SCHEMBL6733181 0.81 MAPK1 (0.55) CYP2C9MAPK1HSD17B10NR1I2MAPT
SCHEMBL6686784 0.81 CYP2C9 (0.60) CYP2C9MAPK1HSD17B10NR1I2ALDH1A1

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
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
US-20040147739-A1 Novel anti-infectives SMITHKLINE BEECHAM CORPORATION 2004-07-29 US 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.