SCHEMBL96080

SCHEMBL96080

[CH2]c1ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.53
GAA P10253 1/20 0.50
IDH1 O75874 4/20 0.49
ALDH1A1 P00352 2/20 0.49
ITGA1 P56199 1/20 0.48
MAPT P10636 2/20 0.48
IDO1 P14902 1/20 0.46
ATAD2 Q6PL18 1/20 0.46
CECR2 Q9BXF3 1/20 0.46
TP53 P04637 1/20 0.46
GRM4 Q14833 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45

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
SCHEMBL2314802 0.80 ALDH1A1 (0.51) ATMALDH1A1IDO1ATAD2CECR2
SCHEMBL94831 0.80 MAPT (0.63) ALDH1A1ITGA1MAPTHDAC1HDAC8
SCHEMBL2312129 0.78 ALDH1A1 (0.69) ATMALDH1A1MAPTIDO1ATAD2
SCHEMBL95834 0.77 BRD4 (0.51) ITGA1MAPTHDAC1HDAC8
SCHEMBL97361 0.77 KMT2A (0.68) GAAALDH1A1
SCHEMBL6514545 0.77 CA2 (0.56) ALDH1A1IDO1ATAD2CECR2
SCHEMBL10572357 0.76 IDH1 (0.56) ATMGAAIDH1
SCHEMBL10572320 0.74 IDH1 (0.65) GAAIDH1ALDH1A1MAPT
SCHEMBL96008 0.74 L3MBTL1 (0.51) GAAIDH1ALDH1A1MAPT
SCHEMBL94461 0.74 SLC22A12 (0.48) ITGA1MAPT

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 ATM 1126/4885GAA 4574/4885IDH1 1279/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 ATM 723/4885GAA 4784/4885IDH1 3360/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 ATM 723/4885GAA 4784/4885IDH1 3360/4885

“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.