SCHEMBL97856

SCHEMBL97856

[CH2]c1ccc(NS(=O)(=O)CC2CCCCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 2/20 0.41
KMO O15229 1/20 0.38
ALDH1A1 P00352 8/20 0.37
LMNA P02545 5/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
ATM Q13315 1/20 0.35
KMT2A Q03164 5/20 0.35
HTT P42858 3/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 2/20 0.35
EPHX2 P34913 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
USP2 O75604 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL17404463 0.78 ACLY (0.53) ACLYALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL17404464 0.74 ACLY (0.46) ACLYALDH1A1LMNAKMT2AHPGD
SCHEMBL7988528 0.71 HPGD (0.64) ALDH1A1LMNASMN1; SMN2MAPTTP53
SCHEMBL31039593 0.69 MEN1 (0.42) KMOALDH1A1LMNAKMT2AHTT
SCHEMBL20771719 0.69 MEN1 (0.42) KMOALDH1A1LMNAKMT2AHTT
SCHEMBL9700507 0.69 ADH1B (0.35) ACLYKMOKMT2AHPGD
SCHEMBL3116718 0.69 SLC22A12 (0.40) ACLYKMOALDH1A1LMNASMN1; SMN2
SCHEMBL13983317 0.69 ACLY (0.38) ACLYKMOALDH1A1LMNASMN1; SMN2
SCHEMBL12678587 0.69 HDAC1 (0.37) ACLYALDH1A1LMNASMN1; SMN2TP53
SCHEMBL23521703 0.68 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MAPTKMT2AHTT

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 ACLY 4141/4885KMO 1931/4885ALDH1A1 2948/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 ACLY 3499/4885KMO 1729/4885ALDH1A1 2458/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 ACLY 3499/4885KMO 1729/4885ALDH1A1 2458/4885

“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.