SCHEMBL396705

SCHEMBL396705

CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)CC1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.77
TSHR P16473 1/20 0.74
L3MBTL1 Q9Y468 3/20 0.71
POLB P06746 1/20 0.67
MEN1 O00255 3/20 0.64
KDM4E B2RXH2 1/20 0.61
PKM P14618 1/20 0.61
RAB9A P51151 1/20 0.60
HSD17B10 Q99714 2/20 0.59
GAA P10253 1/20 0.59
MAPT P10636 1/20 0.59
HPGD P15428 1/20 0.59
CYP2C19 P33261 1/20 0.59
VCAM1 P19320 1/20 0.59
LMNA P02545 2/20 0.59
ATM Q13315 1/20 0.59
MAPK1 P28482 1/20 0.58
HTT P42858 1/20 0.55

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
SCHEMBL395198 0.99 KMT2A (0.75) KMT2ATSHRL3MBTL1POLBMEN1
Lithium Ion SCHEMBL395197 0.87 L3MBTL1 (0.63) KMT2ATSHRL3MBTL1POLBMEN1
SCHEMBL3921818 0.87 TSHR (0.97) KMT2ATSHRL3MBTL1POLBMEN1
SCHEMBL1647757 0.86 POLB (0.88) KMT2ATSHRL3MBTL1POLBKDM4E
SCHEMBL1708867 0.85 TSHR (1.00) KMT2ATSHRL3MBTL1POLBMEN1
SCHEMBL394951 0.85 L3MBTL1 (0.64) KMT2ATSHRL3MBTL1POLBMEN1
SCHEMBL6207754 0.85 KMT2A (0.71) KMT2ATSHRL3MBTL1MEN1KDM4E
SCHEMBL28655730 0.84 POLB (0.65) KMT2ATSHRL3MBTL1POLBKDM4E
SCHEMBL6207027 0.84 CYP3A4 (0.75) KMT2ATSHRPOLBMEN1PKM
SCHEMBL28653785 0.84 HSD17B10 (0.77) KMT2ATSHRL3MBTL1POLBKDM4E

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 21 patents — showing the first 20. 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-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
EP-0994115-B1 Process for preparation of pyrazolo-(4,3-d)pyrimidin-7-ones and intermediates thereof PFIZER LTD (GB) 2005-03-02 EP disclosed
WO-2004086865-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2004-10-14 WO disclosed
US-20030069422-A1 Process for preparation of pyrazolo[4,3-d]pyrimidin-7-ones and intermediates thereof DUNN PETER JAMES (GB) 2003-04-10 US disclosed
US-20010009962-A1 Process for preparation of pyrazolo[4,3-d]pyrimidin-7-ones and intermediates thereof DUNN PETER JAMES (GB) 2001-07-26 US disclosed
US-6207829-B1 CYCLIZATION OF A CORRESPONDING PYRAZOLE COMPOUND PFIZER INC. 2001-03-27 US disclosed
EP-0994115-A2 Process for preparation of pyrazolo-(4,3-d)pyrimidin-7-ones and intermediates thereof Pfizer Limited (GB) 2000-04-19 EP 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 (7 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 KMT2A 2395/4885TSHR 3581/4885L3MBTL1 2567/4885
US-20010009962-A1 Process for preparation of pyrazolo[4,3-d]pyrimidin-7-ones and intermediates thereof UGT2B7, CYP3A7, TOP2B KMT2A 2876/4885TSHR 4131/4885L3MBTL1 4245/4885
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 KMT2A 2721/4885TSHR 3736/4885L3MBTL1 2553/4885
US-20120232092-A1 HETEROCYCLIC SULFONAMIDES TNNI3, TNNT2, MYLK2 KMT2A 2395/4885TSHR 3581/4885L3MBTL1 2567/4885
US-20110112154-A1 Compounds, compositions and methods TNNI3, TNNT2, MYLK2 KMT2A 3413/4885TSHR 4440/4885L3MBTL1 3432/4885
US-20120088779-A1 HETEROCYCLIC SULFONAMIDES TNNI3, TNNT2, MYLK2 KMT2A 2395/4885TSHR 3581/4885L3MBTL1 2567/4885
US-20030069422-A1 Process for preparation of pyrazolo[4,3-d]pyrimidin-7-ones and intermediates thereof UGT2B7, CYP3A7, TOP2B KMT2A 2876/4885TSHR 4131/4885L3MBTL1 4245/4885

“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.