SCHEMBL6156315

SCHEMBL6156315

CCOc1cccc(-c2nnc(Nc3cccc([N+](=O)[O-])c3)s2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 2/20 0.54
HPGD P15428 2/20 0.54
HSD17B10 Q99714 2/20 0.54
ROCK1 Q13464 3/20 0.54
ROCK2 O75116 2/20 0.54
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
NOTUM Q6P988 1/20 0.52
MITF O75030 1/20 0.51
LMNA P02545 1/20 0.51
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
MGAM O43451 1/20 0.47
GAA P10253 1/20 0.47
SI P14410 1/20 0.47
PKM P14618 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
MAPT P10636 2/20 0.47
CSNK2A2 P19784 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
SCHEMBL6155483 0.88 CSNK2A2 (0.59) ALDH1A1KDM4EHPGDHSD17B10ROCK1
SCHEMBL6160095 0.85 ROCK2 (0.69) ALDH1A1ROCK1ROCK2KMT2AMEN1
SCHEMBL6155305 0.84 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDHSD17B10ROCK1
SCHEMBL6153413 0.84 CSNK2A2 (0.62) ALDH1A1KDM4EHPGDHSD17B10ROCK1
SCHEMBL6154247 0.82 ROCK2 (0.60) ALDH1A1KDM4EHPGDROCK1ROCK2
SCHEMBL6154281 0.81 NOTUM (0.57) ALDH1A1KDM4EHPGDHSD17B10ROCK1
SCHEMBL6153808 0.80 ROCK2 (0.62) ALDH1A1ROCK1ROCK2KMT2AMEN1
SCHEMBL6154361 0.79 KDM4E (0.60) ALDH1A1KDM4EHPGDHSD17B10ROCK1
SCHEMBL6154672 0.78 GUSB (0.61) ALDH1A1KDM4EHPGDHSD17B10ROCK1
SCHEMBL6155155 0.78 ROCK2 (0.60) ALDH1A1KDM4EROCK1ROCK2KMT2A

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 ALDH1A1 961/4885KDM4E 1133/4885HPGD 3168/4885

“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.