SCHEMBL6157726

SCHEMBL6157726

O=[N+]([O-])c1cccc(-c2nnc(Nc3cccc(C(F)(F)F)c3)s2)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.59
ROCK1 Q13464 1/20 0.59
KIF11 P52732 1/20 0.56
ABCG2 Q9UNQ0 5/20 0.56
MGAM O43451 1/20 0.53
GAA P10253 1/20 0.53
SI P14410 1/20 0.53
PKM P14618 1/20 0.53
MGAM2 Q2M2H8 1/20 0.53
MPO P05164 1/20 0.50
MAPT P10636 4/20 0.49
EGFR P00533 1/20 0.48
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPK1 P28482 1/20 0.47
CSNK2A1 P68400 1/20 0.47
NPSR1 Q6W5P4 1/20 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
SCHEMBL6160095 0.88 ROCK2 (0.69) ROCK2ROCK1ABCG2MGAMGAA
SCHEMBL6157313 0.88 ABCG2 (0.55) ROCK2ROCK1KIF11ABCG2MPO
SCHEMBL6153808 0.83 ROCK2 (0.62) ROCK2ROCK1MGAMGAASI
SCHEMBL6153975 0.83 ROCK2 (0.62) ROCK2ROCK1MGAMGAASI
SCHEMBL6157444 0.82 ROCK2 (0.67) ROCK2ROCK1MGAMGAASI
SCHEMBL12336520 0.82 PIK3CD (0.56) KIF11ABCG2GAAMAPTMEN1
SCHEMBL6154247 0.81 ROCK2 (0.60) ROCK2ROCK1ABCG2MGAMGAA
SCHEMBL7268480 0.81 CSNK2A1 (0.74) ABCG2GAAMAPTMEN1KMT2A
SCHEMBL30041778 0.81 CSNK2A1 (0.74) ABCG2GAAMAPTMEN1KMT2A
SCHEMBL6153413 0.80 CSNK2A2 (0.62) ROCK2ROCK1ABCG2MGAMGAA

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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2005-03-24 US disclosed
EP-1446110-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES Structural Bioinformatics Inc. (US) 2004-08-18 EP disclosed
WO-2003032916-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES STRUCTURAL BIOINFORMATICS INC. (US) 2003-04-24 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 (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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases PTPRS, PTPRJ, PTPRCAP ROCK2 3224/4885ROCK1 3290/4885KIF11 3849/4885

“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.