SCHEMBL4461687

SCHEMBL4461687

CCCC(=O)c1nncs1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.53
PLA2G4A P47712 1/20 0.37
HSD17B3 P37058 1/20 0.37
HPGD P15428 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
POLB P06746 3/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL25006980 0.70 POLB (0.35) CES1HPGDALDH1A1HSD17B10TSHR
SCHEMBL20904792 0.69 PLOD2 (0.45) CES1HPGDALDH1A1HSD17B10TSHR
SCHEMBL6840487 0.68 PLA2G4A (0.50) PLA2G4AHSD17B3ALDH1A1HSD17B10LMNA
Bromide SCHEMBL6329679 0.68 PLA2G4A (0.56) CES1PLA2G4AHPGDALDH1A1SMN1; SMN2
SCHEMBL20429003 0.67 PLA2G4A (0.49) PLA2G4AHSD17B3HPGDALDH1A1HSD17B10
SCHEMBL4828394 0.67 SMN1; SMN2 (0.45) CES1HSD17B3ALDH1A1TSHRRECQL
SCHEMBL4461679 0.65 HSD17B3 (0.33) CES1PLA2G4AHSD17B3HPGDALDH1A1
SCHEMBL12101028 0.65 PLA2G4A (0.47) PLA2G4AHSD17B3HPGDALDH1A1HSD17B10
SCHEMBL26254903 0.64 HSD17B3 (0.48) CES1HSD17B3HPGDALDH1A1HSD17B10
SCHEMBL8254736 0.64 PKM (0.58) HSD17B3HPGDALDH1A1HSD17B10ALOX15

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 3 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-7595322-B2 Heterocyclic sulfonamides as modulators of cardiac sarcomeres CYTOKINETICS, INC. (US) 2009-09-29 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-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 CES1 2725/4885PLA2G4A 1162/4885HSD17B3 4079/4885

“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.