SCHEMBL6155199

SCHEMBL6155199

O=C(O)CCCCC=Cc1cccc(Oc2cccc(-c3nnc(Nc4ccc(Cl)c(Cl)c4)s3)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 2/20 0.45
ROCK2 O75116 1/20 0.45
GUSB P08236 2/20 0.43
HDAC1 Q13547 9/20 0.42
HDAC2 Q92769 9/20 0.42
HDAC8 Q9BY41 4/20 0.41
HDAC6 Q9UBN7 4/20 0.41
S1PR1 P21453 1/20 0.40
BLM P54132 2/20 0.38
DHODH Q02127 1/20 0.38
TBXAS1 P24557 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
EPOR P19235 1/20 0.36

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
SCHEMBL6153683 0.81 GUSB (0.51) ROCK1ROCK2GUSBHDAC1HDAC2
SCHEMBL6154200 0.81 GUSB (0.54) ROCK1ROCK2GUSBS1PR1BLM
SCHEMBL6153472 0.80 GUSB (0.53) ROCK1ROCK2GUSBHDAC6S1PR1
SCHEMBL6153725 0.79 ROCK1 (0.42) ROCK1ROCK2GUSBHDAC1HDAC2
SCHEMBL6153733 0.78 ROCK1 (0.43) ROCK1ROCK2GUSBHDAC1HDAC2
SCHEMBL6155142 0.78 GUSB (0.60) ROCK1ROCK2GUSBHDAC6BLM
SCHEMBL6153810 0.78 KMO (0.55) ROCK1ROCK2GUSBHDAC1HDAC6
SCHEMBL6154359 0.77 GUSB (0.65) ROCK1ROCK2GUSBBLMDHODH
SCHEMBL6154406 0.76 MAPT (0.45) ROCK1ROCK2GUSBKDM4EALDH1A1
SCHEMBL6154398 0.76 MAPT (0.45) ROCK1ROCK2GUSBKDM4EALDH1A1

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 1 patent. 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 claimed

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 ROCK1 3290/4885ROCK2 3224/4885GUSB 2466/4885

“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.