SCHEMBL6235380

SCHEMBL6235380

CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2cc(NC(=O)c3ccc(F)c(F)c3F)ccc21

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.55
NR1I2 O75469 1/20 0.55
MAPK1 P28482 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MET P08581 1/20 0.36
XBP1 P17861 1/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
XDH P47989 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
SCHEMBL6267540 0.88 CYP2C9 (0.61) CYP2C9NR1I2MAPK1HSD17B10XBP1
SCHEMBL6231895 0.88 MAPK1 (0.58) CYP2C9NR1I2MAPK1HSD17B10MAPT
SCHEMBL6234807 0.87 MAPK1 (0.61) CYP2C9NR1I2MAPK1HSD17B10MAPT
SCHEMBL6239797 0.87 CYP2C9 (0.59) CYP2C9NR1I2MAPK1HSD17B10XBP1
SCHEMBL6230351 0.85 MAPK1 (0.59) CYP2C9NR1I2MAPK1HSD17B10MAPT
SCHEMBL6239964 0.85 MAPK1 (0.58) CYP2C9NR1I2MAPK1HSD17B10XBP1
SCHEMBL6241366 0.84 MAPK1 (0.54) CYP2C9NR1I2MAPK1HSD17B10MEN1
SCHEMBL6239211 0.84 MAPK1 (0.54) CYP2C9NR1I2MAPK1HSD17B10MAPT
SCHEMBL6738155 0.83 MAPK1 (0.57) CYP2C9NR1I2MAPK1HSD17B10MAPT
SCHEMBL6242212 0.83 MAPK1 (0.53) CYP2C9NR1I2MAPK1HSD17B10MAPT

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 7 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
EP-1401443-A4 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORP (US) 2005-10-26 EP 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 1218/4885NR1I2 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.