SCHEMBL94732

SCHEMBL94732

[CH2]c1ccc(NS(=O)(=O)c2c(C)noc2C)cc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.68
TSHR P16473 1/20 0.68
MAPT P10636 5/20 0.58
TP53 P04637 1/20 0.58
POLB P06746 1/20 0.58
HPGD P15428 1/20 0.57
HTT P42858 1/20 0.57
KMT2A Q03164 3/20 0.56
GAA P10253 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.54
MEN1 O00255 2/20 0.54
HSD17B10 Q99714 1/20 0.53
AKT1 P31749 1/20 0.52
GALK1 P51570 1/20 0.52
PKM P14618 1/20 0.51

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
SCHEMBL11887834 0.85 MAPT (0.77) ALDH1A1TSHRMAPTTP53POLB
SCHEMBL6831724 0.85 ALDH1A1 (0.68) ALDH1A1TSHRMAPTTP53POLB
SCHEMBL21114862 0.82 ALDH1A1 (0.65) ALDH1A1TSHRMAPTTP53POLB
SCHEMBL328333 0.81 ALDH1A1 (0.71) ALDH1A1TSHRMAPTTP53POLB
Acetic Acid SCHEMBL27492277 0.79 ALDH1A1 (0.73) ALDH1A1TSHRMAPTTP53POLB
SCHEMBL15480549 0.79 ALDH1A1 (0.76) ALDH1A1TSHRMAPTTP53POLB
SCHEMBL6363219 0.78 HTT (0.66) ALDH1A1TSHRMAPTTP53POLB
SCHEMBL6363506 0.77 HTT (0.68) ALDH1A1TSHRMAPTPOLBHPGD
SCHEMBL8274499 0.74 ALDH1A1 (0.68) ALDH1A1TSHRMAPTTP53POLB
SCHEMBL13852958 0.74 ALDH1A1 (0.55) ALDH1A1TSHRMAPTTP53POLB

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 ALDH1A1 2948/4885TSHR 3439/4885MAPT 4112/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 ALDH1A1 2458/4885TSHR 110/4885MAPT 4773/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 ALDH1A1 2458/4885TSHR 110/4885MAPT 4773/4885

“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.