SCHEMBL6153733

SCHEMBL6153733

O=C(O)CCCn1nnnc1-c1cccc(Oc2cccc(-c3nnc(Nc4ccc(Cl)c(Cl)c4)s3)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 2/20 0.43
ROCK2 O75116 1/20 0.43
GUSB P08236 2/20 0.42
S1PR1 P21453 2/20 0.41
DHODH Q02127 1/20 0.41
HSD11B1 P28845 1/20 0.40
BLM P54132 2/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HSD17B10 Q99714 2/20 0.38
USP2 O75604 1/20 0.38
HDAC1 Q13547 5/20 0.36
HDAC2 Q92769 5/20 0.36
HDAC6 Q9UBN7 3/20 0.36
HDAC8 Q9BY41 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 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
SCHEMBL6153725 0.98 ROCK1 (0.42) ROCK1ROCK2GUSBS1PR1DHODH
SCHEMBL6153683 0.81 GUSB (0.51) ROCK1ROCK2GUSBS1PR1DHODH
SCHEMBL6153472 0.79 GUSB (0.53) ROCK1ROCK2GUSBS1PR1DHODH
SCHEMBL6155199 0.78 ROCK1 (0.45) ROCK1ROCK2GUSBS1PR1DHODH
SCHEMBL6155142 0.78 GUSB (0.60) ROCK1ROCK2GUSBDHODHBLM
SCHEMBL6153810 0.77 KMO (0.55) ROCK1ROCK2GUSBS1PR1DHODH
SCHEMBL6154359 0.77 GUSB (0.65) ROCK1ROCK2GUSBDHODHBLM
SCHEMBL6155284 0.75 GUSB (0.56) ROCK1ROCK2GUSBS1PR1DHODH
SCHEMBL6155528 0.74 GUSB (0.57) ROCK1ROCK2GUSBS1PR1DHODH
SCHEMBL6154575 0.74 GUSB (0.61) ROCK1ROCK2GUSBS1PR1DHODH

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.