SCHEMBL96355

SCHEMBL96355

[CH2]c1ccc(NS(=O)(=O)c2ccccc2C#N)cc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 12/20 0.63
KMT2A Q03164 1/20 0.54
HSPD1 P10809 1/20 0.54
PTPN2 P17706 1/20 0.54
PTPN1 P18031 1/20 0.54
PTPN5 P54829 1/20 0.54
HSPE1 P61604 1/20 0.54
BRD1 O95696 1/20 0.53
BRPF1 P55201 1/20 0.53
HSP90AA1 P07900 1/20 0.51
HSP90AB1 P08238 1/20 0.51
SGK1 O00141 1/20 0.50
SLC40A1 Q9NP59 1/20 0.49

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
SCHEMBL96292 0.76 PGR (0.65) SLC22A12KMT2APTPN2PTPN1PTPN5
SCHEMBL95378 0.76 ALDH1A1 (0.56) SLC22A12KMT2AHSPD1PTPN2PTPN1
SCHEMBL97052 0.76 ALDH1A1 (0.65) SLC22A12KMT2AHSPD1PTPN2PTPN1
SCHEMBL96522 0.76 POLB (0.60) KMT2APTPN2PTPN1PTPN5
SCHEMBL28270285 0.75 SLC22A12 (0.63) SLC22A12KMT2AHSPD1PTPN2PTPN1
SCHEMBL3555752 0.74 TSHR (0.56) SLC22A12KMT2AHSPD1PTPN2PTPN1
SCHEMBL7947307 0.74 SLC22A12 (0.51) SLC22A12KMT2AHSPD1PTPN2PTPN1
SCHEMBL6238697 0.73 ALDH1A1 (0.53) SLC22A12KMT2AHSPD1PTPN2PTPN1
SCHEMBL8224003 0.73 ALDH1A1 (0.53) SLC22A12KMT2AHSPD1PTPN2PTPN1
SCHEMBL13211030 0.73 ALDH1A1 (0.58) SLC22A12KMT2ABRD1BRPF1SLC40A1

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 12 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
CN-101489555-A Nf-kappa OTSUKA PHARMA CO LTD (JP) 2009-07-22 CN 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 3575/4885KMT2A 1059/4885HSPD1 2970/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 SLC22A12 2298/4885KMT2A 2732/4885HSPD1 2123/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 SLC22A12 2298/4885KMT2A 2732/4885HSPD1 2123/4885

“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.