SCHEMBL397343

SCHEMBL397343

CC(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ncc[nH]3)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 3/20 0.51
HSD17B10 Q99714 1/20 0.51
TSHR P16473 2/20 0.49
PTGES O14684 2/20 0.49
LMNA P02545 5/20 0.49
GFER P55789 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HTT P42858 1/20 0.47
KMT2A Q03164 2/20 0.46
CYP3A4 P08684 2/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 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
SCHEMBL395741 0.92 PTGES (0.48) ALDH1A1KDM4EHSD17B10TSHRPTGES
SCHEMBL395742 0.92 PTGES (0.48) ALDH1A1KDM4EHSD17B10TSHRPTGES
SCHEMBL435164 0.89 ALDH1A1 (0.50) ALDH1A1KDM4EHSD17B10TSHRPTGES
SCHEMBL3596142 0.87 ALDH1A1 (0.54) ALDH1A1KDM4EHSD17B10TSHRPTGES
SCHEMBL1169912 0.79 ALDH1A1 (0.51) ALDH1A1KDM4EHSD17B10TSHRPTGES
SCHEMBL1170426 0.78 KMT2A (0.45) ALDH1A1KDM4EHSD17B10TSHRLMNA
SCHEMBL1170425 0.78 KMT2A (0.45) ALDH1A1KDM4EHSD17B10TSHRLMNA
SCHEMBL393916 0.76 KMT2A (0.49) ALDH1A1KDM4EHSD17B10TSHRLMNA
SCHEMBL393917 0.76 KMT2A (0.49) ALDH1A1KDM4EHSD17B10TSHRLMNA
SCHEMBL12867415 0.76 KMT2A (0.49) ALDH1A1KDM4EHSD17B10TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 4297/4885KDM4E 2012/4885HSD17B10 4008/4885
US-20100069370-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNT2, MYLK2 ALDH1A1 4510/4885KDM4E 2431/4885HSD17B10 4045/4885
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 ALDH1A1 3016/4885KDM4E 757/4885HSD17B10 4230/4885
US-20120232092-A1 HETEROCYCLIC SULFONAMIDES TNNI3, TNNT2, MYLK2 ALDH1A1 4297/4885KDM4E 2012/4885HSD17B10 4008/4885
US-20110112154-A1 Compounds, compositions and methods TNNI3, TNNT2, MYLK2 ALDH1A1 4510/4885KDM4E 2431/4885HSD17B10 4045/4885
US-20120088779-A1 HETEROCYCLIC SULFONAMIDES TNNI3, TNNT2, MYLK2 ALDH1A1 4297/4885KDM4E 2012/4885HSD17B10 4008/4885

“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.