SCHEMBL396774

SCHEMBL396774

CCOC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)CC1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.70
SMN1; SMN2 Q16637 3/20 0.68
KMT2A Q03164 4/20 0.65
MEN1 O00255 2/20 0.64
KDM4E B2RXH2 1/20 0.64
CYP2C9 P11712 1/20 0.64
HSD17B10 Q99714 1/20 0.64
MAPT P10636 2/20 0.64
TSHR P16473 1/20 0.63
ALDH1A1 P00352 3/20 0.63
LMNA P02545 3/20 0.63
HTT P42858 1/20 0.63
L3MBTL1 Q9Y468 3/20 0.61
PKM P14618 1/20 0.61
USP2 O75604 1/20 0.58

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
SCHEMBL392870 0.85 KMT2A (0.64) SMN1; SMN2KMT2AMEN1KDM4ETSHR
SCHEMBL6207754 0.83 KMT2A (0.71) KMT2AMEN1KDM4ETSHRL3MBTL1
SCHEMBL5249033 0.82 POLB (1.00) POLBSMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL6690361 0.81 POLB (0.74) POLBSMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL396705 0.81 KMT2A (0.77) POLBKMT2AMEN1KDM4EHSD17B10
SCHEMBL395198 0.80 KMT2A (0.75) POLBKMT2AMEN1KDM4EHSD17B10
SCHEMBL3921818 0.79 TSHR (0.97) POLBSMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL18031180 0.78 POLB (0.78) POLBSMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL1708867 0.78 TSHR (1.00) POLBSMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL394051 0.78 LMNA (0.62) POLBSMN1; SMN2KMT2AMEN1KDM4E

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8604025-B2 Heterocyclic sulfonamides CYTOKINETICS, INC. (US) 2013-12-10 US disclosed
US-20130267537-A1 HETEROCYCLIC SULFONAMIDES CYTOKINETICS, INC. (US) 2013-10-10 US disclosed
US-8367661-B2 Heterocyclic sulfonamides CYTOKINETICS, INC. (US) 2013-02-05 US disclosed
US-20120232092-A1 HETEROCYCLIC SULFONAMIDES CYTOKINETICS, INC. 2012-09-13 US disclosed
US-8202859-B2 Heterocyclic sulfonamides CYTOKINETICS, INC. (US) 2012-06-19 US disclosed
US-20120088779-A1 HETEROCYCLIC SULFONAMIDES CYTOKINETICS, INC. 2012-04-12 US disclosed
US-8101620-B2 Heterocyclic sulfonamides CYTOKINETICS, INC. (US) 2012-01-24 US disclosed
EP-1605752-B1 Sulfonamides for the treatment of congestive heart failure, their compositions and uses. CYTOKINETICS INC (US) 2011-09-14 EP disclosed
US-20110112154-A1 Compounds, compositions and methods CYTOKINETICS, INC. 2011-05-12 US disclosed
US-7888373-B2 Heterocyclic sulfonamides as modulators of cardiac sarcomeres CYTOKINETICS, INC. (US) 2011-02-15 US disclosed
US-20100069370-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. 2010-03-18 US disclosed
US-7595322-B2 Heterocyclic sulfonamides as modulators of cardiac sarcomeres CYTOKINETICS, INC. (US) 2009-09-29 US disclosed
EP-1605752-A4 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2008-05-07 EP disclosed
US-20070078126-A1 Useful in selective modulation of cardiac sarcomere, for example, by potentiating cardiac myosin; can be used to treat heart failure including CHF, particularly systolic heart failure; 4-[4-chloro-3-(5-phenyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-benzenesulfonyl]-piperazine-1-carboxylic acid ethyl ester CYTOKINETICS, INCORPORATED 2007-04-05 US disclosed
EP-1605752-A1 COMPOUNDS, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2005-12-21 EP disclosed
WO-2004086865-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2004-10-14 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 (6 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-20130267537-A1 HETEROCYCLIC SULFONAMIDES TNNI3, TNNT2, MYLK2 POLB 4856/4885SMN1; SMN2 293/4885KMT2A 2395/4885
US-20100069370-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNT2, MYLK2 POLB 4453/4885SMN1; SMN2 185/4885KMT2A 3413/4885
US-20070078126-A1 Useful in selective modulation of cardiac sarcomere, for example, by potentiating cardiac myosin; can be used to treat heart failure including CHF, particularly systolic heart failure; 4-[4-chloro-3-(5-phenyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-benzenesulfonyl]-piperazine-1-carboxylic acid ethyl ester MYLK2, MYH2, MYH14 POLB 4804/4885SMN1; SMN2 664/4885KMT2A 2721/4885
US-20120232092-A1 HETEROCYCLIC SULFONAMIDES TNNI3, TNNT2, MYLK2 POLB 4856/4885SMN1; SMN2 293/4885KMT2A 2395/4885
US-20110112154-A1 Compounds, compositions and methods TNNI3, TNNT2, MYLK2 POLB 4453/4885SMN1; SMN2 185/4885KMT2A 3413/4885
US-20120088779-A1 HETEROCYCLIC SULFONAMIDES TNNI3, TNNT2, MYLK2 POLB 4856/4885SMN1; SMN2 293/4885KMT2A 2395/4885

“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.