SCHEMBL6207951

SCHEMBL6207951

CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3cc(OCC#N)ccc3N2)c(O)c2ccccc21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.58
HSD17B10 Q99714 1/20 0.58
CYP2C9 P11712 3/20 0.49
NR1I2 O75469 1/20 0.45
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
KMT2A Q03164 4/20 0.35
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 3/20 0.35
KDM4E B2RXH2 3/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.34
XBP1 P17861 1/20 0.34

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 0.94 CYP2C9 (0.54) MAPK1HSD17B10CYP2C9NR1I2PSEN1
SCHEMBL6733019 0.90 CYP2C9 (0.51) MAPK1HSD17B10CYP2C9NR1I2ALDH1A1
SCHEMBL6233730 0.90 CYP2C9 (0.53) MAPK1HSD17B10CYP2C9NR1I2
SCHEMBL6738002 0.90 CYP2C9 (0.62) MAPK1HSD17B10CYP2C9NR1I2XBP1
SCHEMBL1522950 0.89 MAPK1 (0.47) MAPK1HSD17B10CYP2C9NR1I2RXFP1
SCHEMBL6232817 0.89 MAPK1 (0.64) MAPK1HSD17B10CYP2C9NR1I2KMT2A
SCHEMBL6235277 0.88 MAPK1 (0.59) MAPK1HSD17B10CYP2C9NR1I2PSEN1
SCHEMBL6239137 0.88 MAPK1 (0.59) MAPK1HSD17B10CYP2C9NR1I2KMT2A
SCHEMBL6232672 0.88 CYP2C9 (0.51) MAPK1HSD17B10CYP2C9NR1I2
SCHEMBL6239158 0.88 CYP2C9 (0.63) MAPK1HSD17B10CYP2C9NR1I2KMT2A

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 5 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
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 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.