SCHEMBL96059

SCHEMBL96059

[CH2]c1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 9/20 0.62
CYP2D6 P10635 7/20 0.62
PSEN1 P49768 6/20 0.62
PSEN2 P49810 6/20 0.62
APH1B Q8WW43 6/20 0.62
NCSTN Q92542 6/20 0.62
APH1A Q96BI3 6/20 0.62
PSENEN Q9NZ42 6/20 0.62
PGR P06401 6/20 0.60
ACLY P53396 1/20 0.57
CES1 P23141 1/20 0.56

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
SCHEMBL97999 0.85 PGR (0.73) PGR
SCHEMBL29561444 0.84 CES1 (0.81) CYP3A4CYP2D6PSEN1PSEN2APH1B
SCHEMBL96121 0.84 CES1 (0.81) PGRCES1
SCHEMBL6275068 0.82 CYP3A4 (0.62) CYP3A4CYP2D6PSEN1PSEN2APH1B
SCHEMBL29118844 0.82 PRMT1 (0.66) CYP3A4CYP2D6PSEN1PSEN2APH1B
SCHEMBL3762452 0.81 PGR (0.74) CYP3A4CYP2D6PSEN1PSEN2APH1B
SCHEMBL29562342 0.81 PGR (0.72) CYP3A4CYP2D6PSEN1PSEN2APH1B
SCHEMBL95190 0.79 MAPT (0.62) CYP3A4CYP2D6PGRCES1
SCHEMBL29561437 0.79 PGR (0.69) CYP3A4CYP2D6PSEN1PSEN2APH1B
SCHEMBL29561923 0.79 CA1 (0.63) CYP3A4CYP2D6PSEN1PSEN2APH1B

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 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 (3 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-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB CYP3A4 3412/4885CYP2D6 3834/4885PSEN1 3209/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 CYP3A4 953/4885CYP2D6 1754/4885PSEN1 4458/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 CYP3A4 953/4885CYP2D6 1754/4885PSEN1 4458/4885

“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.