SCHEMBL6738002

SCHEMBL6738002

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

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.62
NR1I2 O75469 1/20 0.54
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
XBP1 P17861 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
PER2 O15055 1/20 0.30
CRY2 Q49AN0 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) CYP2C9NR1I2MAPK1HSD17B10
SCHEMBL6733019 0.91 CYP2C9 (0.51) CYP2C9NR1I2MAPK1HSD17B10
SCHEMBL6233730 0.91 CYP2C9 (0.53) CYP2C9NR1I2MAPK1HSD17B10
SCHEMBL6207951 0.90 MAPK1 (0.58) CYP2C9NR1I2MAPK1HSD17B10XBP1
SCHEMBL6738466 0.90 CYP2C9 (0.63) CYP2C9NR1I2MAPK1HSD17B10PER2
SCHEMBL6232672 0.89 CYP2C9 (0.51) CYP2C9NR1I2MAPK1HSD17B10
SCHEMBL6735217 0.89 CYP2C9 (0.51) CYP2C9NR1I2MAPK1HSD17B10
SCHEMBL6236665 0.88 CYP2C9 (0.78) CYP2C9NR1I2MAPK1HSD17B10XBP1
SCHEMBL6234934 0.88 CYP2C9 (0.79) CYP2C9NR1I2MAPK1HSD17B10L3MBTL1
SCHEMBL6732332 0.86 CYP2C9 (0.61) CYP2C9NR1I2MAPK1HSD17B10XBP1

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 1218/4885NR1I2 1798/4885MAPK1 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.