SCHEMBL95622

SCHEMBL95622

[CH2]c1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALPL P05186 3/20 0.58
SLC22A12 Q96S37 7/20 0.58
SLC40A1 Q9NP59 1/20 0.51
IDH1 O75874 2/20 0.47
GSPT1 P15170 1/20 0.47
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
GSK3B P49841 1/20 0.46
BRD4 O60885 1/20 0.45
FABP4 P15090 1/20 0.44
FABP5 Q01469 1/20 0.44
BCHE P06276 1/20 0.43
CYP2C9 P11712 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
SLC22A11 Q9NSA0 1/20 0.42

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
SCHEMBL95649 0.81 SLC22A12 (0.55) SLC22A12BRD4CYP2C9
SCHEMBL7570846 0.79 SLC22A12 (0.62) ALPLSLC22A12SLC40A1GSPT1DDB1
SCHEMBL95728 0.78 SLC22A12 (0.68) SLC22A12CYP2C9SLC22A6SLC22A8SLC22A11
SCHEMBL27999788 0.77 ALPL (0.53) ALPLSLC22A12SLC40A1GSPT1DDB1
SCHEMBL3556453 0.76 RXRA (0.53) ALPLSLC22A12IDH1FABP4FABP5
SCHEMBL10154346 0.75 ALPL (0.52) ALPLSLC22A12SLC40A1IDH1BRD4
SCHEMBL97052 0.75 ALDH1A1 (0.65) SLC22A12BRD4
SCHEMBL418590 0.75 ALPL (0.52) ALPLSLC22A12SLC40A1GSPT1DDB1
SCHEMBL28312855 0.75 SLC22A12 (0.54) ALPLSLC22A12SLC40A1IDH1GSPT1
SCHEMBL8229520 0.75 ALPL (0.52) ALPLSLC22A12SLC40A1BRD4

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 ALPL 3425/4885SLC22A12 3575/4885SLC40A1 2377/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 ALPL 956/4885SLC22A12 2298/4885SLC40A1 1044/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 ALPL 956/4885SLC22A12 2298/4885SLC40A1 1044/4885

“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.