SCHEMBL3596142

SCHEMBL3596142

O=C(Nc1ncc[nH]1)c1cc(S(=O)(=O)N2CCN(C(=O)O)CC2)ccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
TSHR P16473 3/20 0.54
KDM4E B2RXH2 3/20 0.53
HSD17B10 Q99714 1/20 0.53
LMNA P02545 4/20 0.52
GFER P55789 1/20 0.52
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.49
USP2 O75604 1/20 0.47
PTGES O14684 2/20 0.47

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
SCHEMBL397343 0.87 ALDH1A1 (0.51) ALDH1A1TSHRKDM4EHSD17B10LMNA
SCHEMBL435164 0.86 ALDH1A1 (0.50) ALDH1A1TSHRKDM4EHSD17B10LMNA
SCHEMBL1169912 0.84 ALDH1A1 (0.51) ALDH1A1TSHRKDM4EHSD17B10LMNA
SCHEMBL395741 0.83 PTGES (0.48) ALDH1A1TSHRKDM4EHSD17B10LMNA
SCHEMBL395742 0.83 PTGES (0.48) ALDH1A1TSHRKDM4EHSD17B10LMNA
SCHEMBL1170425 0.82 KMT2A (0.45) ALDH1A1TSHRKDM4EHSD17B10LMNA
SCHEMBL1170426 0.82 KMT2A (0.45) ALDH1A1TSHRKDM4EHSD17B10LMNA
SCHEMBL393917 0.81 KMT2A (0.49) ALDH1A1TSHRKDM4EHSD17B10LMNA
SCHEMBL393916 0.81 KMT2A (0.49) ALDH1A1TSHRKDM4EHSD17B10LMNA
SCHEMBL12867415 0.81 KMT2A (0.49) ALDH1A1TSHRKDM4EHSD17B10LMNA

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-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-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 (4 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 4297/4885TSHR 3581/4885KDM4E 2012/4885
US-20100069370-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNT2, MYLK2 ALDH1A1 4510/4885TSHR 4440/4885KDM4E 2431/4885
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 3016/4885TSHR 3736/4885KDM4E 757/4885
US-20120232092-A1 HETEROCYCLIC SULFONAMIDES TNNI3, TNNT2, MYLK2 ALDH1A1 4297/4885TSHR 3581/4885KDM4E 2012/4885

“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.