SCHEMBL95007

SCHEMBL95007

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.67
HSPD1 P10809 1/20 0.56
PTPN2 P17706 1/20 0.56
PTPN1 P18031 1/20 0.56
PTPN5 P54829 1/20 0.56
HSPE1 P61604 1/20 0.56
BRD4 O60885 1/20 0.55
BRD1 O95696 1/20 0.55
BRPF1 P55201 1/20 0.55
GLO1 Q04760 1/20 0.51
SLC40A1 Q9NP59 1/20 0.51
SGK1 O00141 3/20 0.51
HSD17B1 P14061 1/20 0.51
HSD17B2 P37059 1/20 0.51
ACLY P53396 2/20 0.50
HTR6 P50406 1/20 0.50
RXFP1 Q9HBX9 1/20 0.49
TRIM24 O15164 1/20 0.47
MAPT P10636 1/20 0.47
PTGES2 Q9H7Z7 1/20 0.47

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
SCHEMBL19334523 0.86 PGR (0.77) PGRHSPD1PTPN2PTPN1PTPN5
SCHEMBL29118877 0.85 PGR (0.67) PGRHSPD1PTPN2PTPN1PTPN5
SCHEMBL5040166 0.84 PGR (0.65) PGRHSPD1PTPN2PTPN1PTPN5
SCHEMBL4884368 0.82 TDP1 (0.65) PGRHSPD1PTPN2PTPN1PTPN5
SCHEMBL96241 0.81 KDM1A (0.64) HSPD1PTPN2PTPN1PTPN5HSPE1
SCHEMBL28504340 0.78 HTR6 (0.66) PGRHSPD1PTPN2PTPN1PTPN5
SCHEMBL12334075 0.78 NR1H3 (0.66) PGRHSPD1PTPN2PTPN1PTPN5
SCHEMBL5037222 0.77 PGR (0.57) PGRHSPD1PTPN2PTPN1PTPN5
SCHEMBL11028156 0.77 PGR (0.64) PGRBRD4BRD1BRPF1ACLY
SCHEMBL97999 0.77 PGR (0.73) PGRPTPN2PTPN1PTPN5MAPT

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 PGR 2725/4885HSPD1 2970/4885PTPN2 1202/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 PGR 3206/4885HSPD1 2123/4885PTPN2 2099/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 PGR 3206/4885HSPD1 2123/4885PTPN2 2099/4885

“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.