SCHEMBL96121

SCHEMBL96121

[CH2]c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.81
ALDH1A1 P00352 3/20 0.64
PRMT1 Q99873 2/20 0.63
TDP1 Q9NUW8 1/20 0.63
CYP19A1 P11511 1/20 0.61
PGR P06401 1/20 0.59
MAPT P10636 3/20 0.56
HTT P42858 1/20 0.56
GAA P10253 1/20 0.56
HDAC1 Q13547 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
MEN1 O00255 1/20 0.53
PKM P14618 1/20 0.53
KMT2A Q03164 1/20 0.53
WDR5 P61964 1/20 0.53
ATIC P31939 1/20 0.53

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
SCHEMBL6554630 0.90 CES1 (1.00) CES1ALDH1A1PRMT1TDP1CYP19A1
SCHEMBL2474197 0.90 CES1 (1.00) CES1ALDH1A1PRMT1TDP1CYP19A1
SCHEMBL96059 0.84 CYP3A4 (0.62) CES1PGR
SCHEMBL97106 0.81 NPSR1 (0.56) CES1ALDH1A1PGRMAPTHTT
SCHEMBL94977 0.81 CA12 (0.68) ALDH1A1TDP1MAPTHTTGAA
SCHEMBL31689478 0.81 CES1 (0.81) CES1ALDH1A1PRMT1TDP1CYP19A1
SCHEMBL2136408 0.81 CES1 (0.81) CES1ALDH1A1PRMT1TDP1CYP19A1
SCHEMBL95709 0.81 CA1 (0.69) CES1ALDH1A1MAPTMEN1PKM
SCHEMBL18395077 0.81 CES1 (0.81) CES1ALDH1A1PRMT1TDP1CYP19A1
SCHEMBL6302309 0.81 CES1 (0.81) CES1ALDH1A1PRMT1TDP1CYP19A1

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 14 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
CN-101489555-A Nf-kappa OTSUKA PHARMA CO LTD (JP) 2009-07-22 CN 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
US-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP 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 CES1 2322/4885ALDH1A1 2948/4885PRMT1 417/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 CES1 2850/4885ALDH1A1 2458/4885PRMT1 1226/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 CES1 2850/4885ALDH1A1 2458/4885PRMT1 1226/4885

“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.