SCHEMBL95728

SCHEMBL95728

[CH2]c1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 17/20 0.68
CYP2C9 P11712 2/20 0.62
SLC22A6 Q4U2R8 2/20 0.62
SLC22A8 Q8TCC7 2/20 0.62
SLC22A11 Q9NSA0 2/20 0.62
CYP3A4 P08684 1/20 0.57
PTPN2 P17706 2/20 0.55
PTPN1 P18031 2/20 0.55
PTPN5 P54829 2/20 0.55
HSPD1 P10809 1/20 0.55
HSPE1 P61604 1/20 0.55
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL3769130 0.87 SLC22A12 (0.70) SLC22A12CYP2C9SLC22A6SLC22A8SLC22A11
SCHEMBL29118842 0.84 SLC22A12 (0.68) SLC22A12CYP2C9SLC22A6SLC22A8SLC22A11
SCHEMBL97052 0.79 ALDH1A1 (0.65) SLC22A12PTPN2PTPN1PTPN5HSPD1
SCHEMBL15480544 0.79 SLC22A12 (0.60) SLC22A12CYP2C9SLC22A6SLC22A8SLC22A11
SCHEMBL95622 0.78 ALPL (0.58) SLC22A12CYP2C9SLC22A6SLC22A8SLC22A11
SCHEMBL17559542 0.77 SLC22A12 (1.00) SLC22A12CYP2C9SLC22A6SLC22A8SLC22A11
SCHEMBL13615174 0.76 SLC22A12 (0.78) SLC22A12CYP2C9SLC22A6SLC22A8SLC22A11
SCHEMBL13615039 0.76 SLC22A12 (0.65) SLC22A12CYP2C9SLC22A6SLC22A8SLC22A11
SCHEMBL26075672 0.76 SLC22A12 (0.69) SLC22A12CYP2C9SLC22A6SLC22A8SLC22A11
SCHEMBL96522 0.76 POLB (0.60) PTPN2PTPN1PTPN5MEN1ALDH1A1

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 SLC22A12 3575/4885CYP2C9 3609/4885SLC22A6 3629/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 SLC22A12 2298/4885CYP2C9 1680/4885SLC22A6 2129/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 SLC22A12 2298/4885CYP2C9 1680/4885SLC22A6 2129/4885

“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.