SCHEMBL95754

SCHEMBL95754

[CH2]c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.66
▸ SMN1; SMN2 Q16637 1/20 0.66
▸ AR P10275 1/20 0.62
▸ 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
▸ PKM P14618 2/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ HSPD1 P10809 1/20 0.55
▸ PTPN2 P17706 1/20 0.55
▸ PTPN1 P18031 1/20 0.55
▸ PTPN5 P54829 1/20 0.55
▸ HSPE1 P61604 1/20 0.55
▸ MEN1 O00255 4/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ F2 P00734 1/20 0.51

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
SCHEMBL410747 0.89 AR (0.67) GAASMN1; SMN2ARCA1CA2
SCHEMBL31235173 0.89 AR (0.67) GAASMN1; SMN2ARCA1CA2
SCHEMBL641243 0.86 SMN1; SMN2 (0.64) GAASMN1; SMN2ARCA1CA2
SCHEMBL7445075 0.86 GAA (0.64) GAASMN1; SMN2ARCA1CA2
SCHEMBL2452111 0.86 GAA (0.64) GAASMN1; SMN2ARCA1CA2
SCHEMBL3917522 0.82 AR (0.67) GAASMN1; SMN2ARCA1CA2
SCHEMBL1575942 0.82 GAA (0.64) GAASMN1; SMN2ARCA1CA2
SCHEMBL27176653 0.82 GAA (0.60) GAASMN1; SMN2ARCA1CA2
SCHEMBL29589718 0.79 AR (0.70) GAASMN1; SMN2ARCA1CA2
SCHEMBL4282718 0.79 AR (0.63) GAASMN1; SMN2ARCA1CA2

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 GAA 4574/4885SMN1; SMN2 3998/4885AR 2401/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 GAA 4784/4885SMN1; SMN2 3084/4885AR 1182/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 GAA 4784/4885SMN1; SMN2 3084/4885AR 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.

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