SCHEMBL4461679

SCHEMBL4461679

CCCC(=O)c1nn[c]s1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.33
HPGD P15428 2/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
RECQL P46063 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PLA2G4A P47712 1/20 0.31
CES1 P23141 2/20 0.31
CES2 O00748 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
FFAR3 O14843 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30

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
SCHEMBL970936 0.72 TSHR (0.41) HPGDALDH1A1TSHRHSD17B10SMN1; SMN2
SCHEMBL7209005 0.70
SCHEMBL4828394 0.67 SMN1; SMN2 (0.45) HSD17B3ALDH1A1TSHRRECQLTDP1
SCHEMBL4461687 0.65 CES1 (0.53) HSD17B3HPGDALDH1A1ALOX15TSHR
SCHEMBL8632031 0.60 NPSR1 (0.42) ALDH1A1ALOX15HSD17B10SMN1; SMN2HDAC1
SCHEMBL6840487 0.60 PLA2G4A (0.50) HSD17B3ALDH1A1HSD17B10PLA2G4ASMN1; SMN2
Bromide SCHEMBL6329679 0.60 PLA2G4A (0.56) HPGDALDH1A1PLA2G4ACES1SMN1; SMN2
SCHEMBL26254903 0.60 HSD17B3 (0.48) HSD17B3HPGDALDH1A1ALOX15TSHR
SCHEMBL7631045 0.58
SCHEMBL9752636 0.56 FASN (0.61) HSD17B3HPGDALDH1A1ALOX15TSHR

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 HSD17B3 4079/4885HPGD 2366/4885ALDH1A1 3016/4885

“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.