SCHEMBL6236694

SCHEMBL6236694

CCOC(=O)CNc1ccc2c(c1)c(O)c(C1=NS(=O)(=O)c3ccccc3N1)c(=O)n2CCC(C)C

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.55
HSD17B10 Q99714 1/20 0.55
CYP2C9 P11712 3/20 0.53
NR1I2 O75469 1/20 0.53
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RECQL P46063 1/20 0.34
LMNA P02545 3/20 0.33
ALDH1A1 P00352 1/20 0.33
THRB P10828 1/20 0.33
TP53 P04637 2/20 0.33
XBP1 P17861 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.32
MAPT P10636 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
SCHEMBL6232944 0.90 MAPK1 (0.59) MAPK1HSD17B10CYP2C9NR1I2TDP1
SCHEMBL6236084 0.86 MAPK1 (0.60) MAPK1HSD17B10CYP2C9NR1I2MEN1
SCHEMBL6234807 0.86 MAPK1 (0.61) MAPK1HSD17B10CYP2C9NR1I2TDP1
SCHEMBL6230351 0.84 MAPK1 (0.59) MAPK1HSD17B10CYP2C9NR1I2MEN1
SCHEMBL6738155 0.84 MAPK1 (0.57) MAPK1HSD17B10CYP2C9NR1I2TP53
SCHEMBL6739082 0.84 MAPK1 (0.67) MAPK1HSD17B10CYP2C9NR1I2MEN1
SCHEMBL6231895 0.84 MAPK1 (0.58) MAPK1HSD17B10CYP2C9NR1I2MEN1
SCHEMBL6239964 0.84 MAPK1 (0.58) MAPK1HSD17B10CYP2C9NR1I2MEN1
SCHEMBL6235652 0.83 MAPK1 (0.68) MAPK1HSD17B10CYP2C9NR1I2MEN1
SCHEMBL6232411 0.82 MAPK1 (0.67) MAPK1HSD17B10CYP2C9NR1I2MEN1

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 4 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

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 MAPK1 3699/4885HSD17B10 1428/4885CYP2C9 1218/4885

“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.