SCHEMBL6231131

SCHEMBL6231131

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

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.54
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
NR1I2 O75469 1/20 0.46
MYLK Q15746 4/20 0.32
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
PDE7A Q13946 1/20 0.31
PDE7B Q9NP56 1/20 0.31
CASR P41180 1/20 0.31
CHEK1 O14757 1/20 0.30
WEE1 P30291 1/20 0.30

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
SCHEMBL6733019 0.95 CYP2C9 (0.51) CYP2C9MAPK1HSD17B10NR1I2MYLK
SCHEMBL6233730 0.95 CYP2C9 (0.53) CYP2C9MAPK1HSD17B10NR1I2
SCHEMBL6738002 0.95 CYP2C9 (0.62) CYP2C9MAPK1HSD17B10NR1I2
SCHEMBL6207951 0.94 MAPK1 (0.58) CYP2C9MAPK1HSD17B10NR1I2MYLK
SCHEMBL6232672 0.93 CYP2C9 (0.51) CYP2C9MAPK1HSD17B10NR1I2
SCHEMBL6735217 0.91 CYP2C9 (0.51) CYP2C9MAPK1HSD17B10NR1I2
SCHEMBL1522950 0.88 MAPK1 (0.47) CYP2C9MAPK1HSD17B10NR1I2
SCHEMBL6231859 0.87 CYP2C9 (0.69) CYP2C9MAPK1HSD17B10NR1I2
SCHEMBL6235658 0.86 MAPK1 (0.57) CYP2C9MAPK1HSD17B10NR1I2MYLK
SCHEMBL6233826 0.85 CYP2C9 (0.56) CYP2C9MAPK1HSD17B10NR1I2MYLK

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.