SCHEMBL4176360

SCHEMBL4176360

CC1(C)Cc2cccc(CS(=O)(=O)O)c2O1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KDM5A P29375 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
POLB P06746 1/20 0.42
NPC1 O15118 1/20 0.42
CCR8 P51685 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL321702 0.82 LMNA (0.49) LMNAALDH1A1KDM4EPKMNPSR1
SCHEMBL1892244 0.81 LMNA (0.48) LMNAALDH1A1KDM4EPKMNPSR1
SCHEMBL6831429 0.79 LMNA (0.50) LMNAALDH1A1KDM4EPKMNPSR1
SCHEMBL10425052 0.78 LMNA (0.44) LMNAALDH1A1KDM4EPKMNPSR1
SCHEMBL112586 0.78 LMNA (0.44) LMNAALDH1A1KDM4EPKMNPSR1
SCHEMBL8634114 0.78 LMNA (0.44) LMNAALDH1A1KDM4EPKMNPSR1
SCHEMBL24805088 0.77 LMNA (0.48) LMNAALDH1A1KDM4EPKMNPSR1
SCHEMBL946262 0.75 LMNA (0.52) LMNAALDH1A1KDM4EPKMNPSR1
SCHEMBL14961223 0.75 NPC1 (0.49) LMNAALDH1A1KMT2AMEN1KDM5A
SCHEMBL10425028 0.75 LMNA (0.43) LMNAALDH1A1KDM4EPKMNPSR1

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
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED 2009-03-19 US disclosed
US-20060264429-A1 Benzoxazinone derivatives, preparation thereof and uses in the treatment of cns and other disorders GLAXO GROUP LIMITED (GB) 2006-11-23 US disclosed
EP-1562917-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED (GB) 2005-08-17 EP disclosed
WO-2004046124-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED (GB) 2004-06-03 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 (2 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-20060264429-A1 Benzoxazinone derivatives, preparation thereof and uses in the treatment of cns and other disorders XDH, CYP4X1, PDHX LMNA 624/4885ALDH1A1 313/4885KDM4E 1114/4885
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS XDH, CYP4X1, PDHX LMNA 589/4885ALDH1A1 736/4885KDM4E 1105/4885

“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.