SCHEMBL6235618

SCHEMBL6235618

CC(C)(C)CCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2cc(NCCO)ccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.61
NR1I2 O75469 1/20 0.61
MAPK1 P28482 1/20 0.56
HSD17B10 Q99714 1/20 0.56
MAPT P10636 1/20 0.33
BTK Q06187 1/20 0.32
KDM4E B2RXH2 2/20 0.31
GAA P10253 2/20 0.31
PRKCA P17252 1/20 0.31
GSK3B P49841 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
ALDH1A1 P00352 2/20 0.30
NPSR1 Q6W5P4 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
CHEK1 O14757 1/20 0.30
WEE1 P30291 1/20 0.30
TAAR1 Q96RJ0 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
SCHEMBL6235373 0.85 HSD17B10 (0.74) CYP2C9NR1I2MAPK1HSD17B10MAPT
SCHEMBL6238653 0.85 CYP2C9 (0.62) CYP2C9NR1I2MAPK1HSD17B10MAPT
SCHEMBL6235203 0.82 CYP2C9 (0.59) CYP2C9NR1I2MAPK1HSD17B10MAPT
SCHEMBL6738430 0.80 CYP2C9 (0.79) CYP2C9NR1I2MAPK1HSD17B10MAPT
SCHEMBL6739989 0.79 HSD17B10 (0.74) CYP2C9NR1I2MAPK1HSD17B10MAPT
SCHEMBL6686456 0.79 HSD17B10 (0.61) CYP2C9NR1I2MAPK1HSD17B10MAPT
SCHEMBL6232944 0.79 MAPK1 (0.59) CYP2C9NR1I2MAPK1HSD17B10MAPT
SCHEMBL6686477 0.78 CYP2C9 (0.63) CYP2C9NR1I2MAPK1HSD17B10
SCHEMBL6211629 0.77 HSD17B10 (0.72) CYP2C9NR1I2MAPK1HSD17B10MAPT
SCHEMBL6235728 0.77 HSD17B10 (0.68) 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 8 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
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 1218/4885NR1I2 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.