SCHEMBL6231859

SCHEMBL6231859

CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3cc(OCC(N)=O)ccc3N2)c(O)c2cc(OCC(N)=O)ccc21

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.69
HSD17B10 Q99714 2/20 0.49
MAPK1 P28482 1/20 0.49
NR1I2 O75469 1/20 0.46
DPP4 P27487 9/20 0.37
GRK2 P25098 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 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
SCHEMBL6683230 0.95 CYP2C9 (0.66) CYP2C9HSD17B10MAPK1NR1I2DPP4
SCHEMBL6236665 0.95 CYP2C9 (0.78) CYP2C9HSD17B10MAPK1NR1I2DPP4
SCHEMBL6732252 0.95 CYP2C9 (0.65) CYP2C9HSD17B10MAPK1NR1I2DPP4
SCHEMBL6239158 0.94 CYP2C9 (0.63) CYP2C9HSD17B10MAPK1NR1I2DPP4
SCHEMBL6232557 0.92 CYP2C9 (0.64) CYP2C9HSD17B10MAPK1NR1I2DPP4
SCHEMBL6742171 0.91 CYP2C9 (0.64) CYP2C9HSD17B10MAPK1NR1I2DPP4
SCHEMBL7075072 0.88 CYP2C9 (0.56) CYP2C9HSD17B10MAPK1NR1I2DPP4
SCHEMBL1522705 0.88 CYP2C9 (0.56) CYP2C9HSD17B10MAPK1NR1I2DPP4
SCHEMBL6231131 0.87 CYP2C9 (0.54) CYP2C9HSD17B10MAPK1NR1I2
SCHEMBL6235277 0.87 MAPK1 (0.59) CYP2C9HSD17B10MAPK1NR1I2SMN1; SMN2

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 1218/4885HSD17B10 1428/4885MAPK1 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.