SCHEMBL97543

SCHEMBL97543

[CH2]c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.67
PGR P06401 1/20 0.67
AR P10275 1/20 0.67
ESR2 Q92731 1/20 0.67
HSD17B2 P37059 1/20 0.62
TSHR P16473 1/20 0.61
HDAC1 Q13547 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
MMP1 P03956 1/20 0.59
MMP2 P08253 1/20 0.59
MMP9 P14780 1/20 0.59
MMP8 P22894 1/20 0.59
MMP13 P45452 1/20 0.59
PTPN2 P17706 3/20 0.56
PTPN1 P18031 3/20 0.56
PTPN5 P54829 3/20 0.56
HSPD1 P10809 2/20 0.56
HSPE1 P61604 2/20 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
SCHEMBL7572806 0.87 NR3C1 (0.69) NR3C1PGRARESR2HSD17B2
SCHEMBL3762909 0.86 PGR (0.77) NR3C1PGRARESR2HSD17B2
SCHEMBL7572556 0.85 PGR (0.67) NR3C1PGRARESR2HSD17B2
SCHEMBL5037026 0.82 NR3C1 (0.64) NR3C1PGRARESR2HSD17B2
SCHEMBL95783 0.81 MEN1 (0.57) ARHDAC1HDAC8CA1CA2
SCHEMBL95797 0.80 PGR (0.65) PGRHDAC1HDAC8PTPN2PTPN1
SCHEMBL7573925 0.80 HSD17B2 (0.79) NR3C1PGRARESR2HSD17B2
SCHEMBL7571567 0.80 HSD17B2 (0.63) NR3C1PGRARESR2HSD17B2
SCHEMBL9517099 0.80 TSHR (0.69) NR3C1PGRARESR2HSD17B2
SCHEMBL94660 0.79 HDAC3 (0.60) NR3C1PGRARESR2HDAC1

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 NR3C1 82/4885PGR 2725/4885AR 2401/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 NR3C1 86/4885PGR 3206/4885AR 1182/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 NR3C1 86/4885PGR 3206/4885AR 1182/4885

“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.