SCHEMBL6733019

SCHEMBL6733019

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.51
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NR1I2 O75469 1/20 0.43
CHEK1 O14757 2/20 0.33
WEE1 P30291 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
THRB P10828 1/20 0.32
TSHR P16473 1/20 0.32
ABCC8 Q09428 1/20 0.32
KCNJ11 Q14654 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
CASR P41180 1/20 0.30
ADAM17 P78536 1/20 0.30
MYLK Q15746 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
SCHEMBL6231131 0.95 CYP2C9 (0.54) CYP2C9MAPK1HSD17B10NR1I2CHEK1
SCHEMBL6738002 0.91 CYP2C9 (0.62) CYP2C9MAPK1HSD17B10NR1I2
SCHEMBL6233730 0.91 CYP2C9 (0.53) CYP2C9MAPK1HSD17B10NR1I2
SCHEMBL6207951 0.90 MAPK1 (0.58) CYP2C9MAPK1HSD17B10NR1I2ALDH1A1
SCHEMBL6232672 0.89 CYP2C9 (0.51) CYP2C9MAPK1HSD17B10NR1I2
SCHEMBL6732252 0.88 CYP2C9 (0.65) CYP2C9MAPK1HSD17B10NR1I2CHEK1
SCHEMBL6735217 0.87 CYP2C9 (0.51) CYP2C9MAPK1HSD17B10NR1I2
SCHEMBL6233801 0.86 MAPK1 (0.53) CYP2C9MAPK1HSD17B10NR1I2CHEK1
SCHEMBL1522950 0.84 MAPK1 (0.47) CYP2C9MAPK1HSD17B10NR1I2THRB
SCHEMBL6233871 0.83 MAPK1 (0.66) CYP2C9MAPK1HSD17B10NR1I2CHEK1

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 2 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
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.