SCHEMBL336418

SCHEMBL336418

CCSC=C1C(=O)C(c2cccs2)=NN(CCC(C)C)C1=O

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.31
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 3/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
ERCC1 P07992 2/20 0.31
FEN1 P39748 2/20 0.31
ERCC4 Q92889 2/20 0.31
PDE10A Q9Y233 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
ATM Q13315 1/20 0.30
HTT P42858 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
SCHEMBL336417 0.78 MEN1 (0.34) KDM4EALDH1A1HPGDERCC1FEN1
SCHEMBL335087 0.71 GABRA1 (0.37) KDM4EALDH1A1LMNAHPGDMAPT
SCHEMBL7604849 0.69 ADORA1 (0.41) TP53KDM4EALDH1A1LMNAHPGD
SCHEMBL7615015 0.66 GABRA1 (0.40) KDM4EALDH1A1HPGDMAPTERCC1
SCHEMBL7610672 0.64 ALDH1A1 (0.38) TP53KDM4EALDH1A1LMNAHPGD
SCHEMBL7613399 0.59 CA12 (0.41) TP53KDM4EALDH1A1HPGDMAPT
SCHEMBL4894265 0.57 ADORA1 (0.43) TP53KDM4EALDH1A1LMNAHPGD
SCHEMBL14034566 0.57 ADORA1 (0.45) TP53KDM4EALDH1A1LMNAHPGD
SCHEMBL23954170 0.56 ALDH1A1 (0.48) KDM4EALDH1A1LMNAHPGDMAPT
SCHEMBL8265982 0.56 GRM2 (0.45) KDM4EALDH1A1MAPTRXFP1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222404-B2 [1,2,4]Thiadiazin-3-yl acetic acid compound and methods of making the acetic acid compound ANADYS PHARMACEUTICALS, INC. (US) 2012-07-17 US disclosed
US-20120116077-A1 [1,2,4]THIADIAZIN-3-YL ACETIC ACID COMPOUND[[S]] AND METHODS OF MAKING THE ACETIC ACID COMPOUND ANADYS PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
US-8097613-B2 [1,2,4]thiadiazine 1,1-dioxide compounds ANADYS PHARMACEUTICALS, INC. (US) 2012-01-17 US disclosed
WO-2009152166-A1 [1,2,4]THIADIAZINE 1,1-DIOXIDE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2009-12-17 WO disclosed
US-20090306057-A1 [1,2,4]THIADIAZINE 1,1-DIOXIDE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2009-12-10 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 (2 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-20120116077-A1 [1,2,4]THIADIAZIN-3-YL ACETIC ACID COMPOUND[[S]] AND METHODS OF MAKING THE ACETIC ACID COMPOUND ACMSD, ACACA, ALDH1A1 TP53 865/4885KDM4E 2174/4885ALDH1A1 3/4885
US-20090306057-A1 [1,2,4]THIADIAZINE 1,1-DIOXIDE COMPOUNDS CYP2E1, CYP1A1, CYP1B1 TP53 1007/4885KDM4E 2195/4885ALDH1A1 85/4885

“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.