SCHEMBL6154992

SCHEMBL6154992

O=C(O)Cc1ccc(Oc2cccc(Nc3nnc(-c4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)s3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.46
ROCK2 O75116 2/20 0.45
ROCK1 Q13464 1/20 0.45
PTGDR2 Q9Y5Y4 3/20 0.45
SIRT2 Q8IXJ6 1/20 0.44
FFAR4 Q5NUL3 2/20 0.44
S1PR1 P21453 1/20 0.44
NOX1 Q9Y5S8 1/20 0.43
CTSV O60911 1/20 0.43
CTSL P07711 1/20 0.43
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
GLS O94925 1/20 0.42
GAA P10253 1/20 0.41
SRD5A2 P31213 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL6153663 0.92 PDE4A (0.43) FFAR1ROCK2ROCK1SIRT2FFAR4
SCHEMBL6154251 0.82 NR1H4 (0.54) FFAR1ROCK2ROCK1NOX1CTSV
SCHEMBL6677986 0.81 PIK3CD (0.41) ROCK2ROCK1SIRT2NOX1CTSV
SCHEMBL6155089 0.81 PIK3CD (0.48) ROCK2ROCK1SIRT2NOX1CTSV
SCHEMBL5552894 0.78 HDAC6 (0.55) NOX1PIK3CDPIK3CAPIK3CBSRD5A2
SCHEMBL6153472 0.76 GUSB (0.53) FFAR1ROCK2ROCK1PTGDR2S1PR1
SCHEMBL5557794 0.75 HDAC6 (0.52) NOX1PIK3CDPIK3CAPIK3CBGLS
SCHEMBL6154349 0.74 GUSB (0.60) ROCK2ROCK1S1PR1NOX1PIK3CD
SCHEMBL208077 0.74 MAPT (0.52) ROCK2PTGDR2SIRT2CTSVCTSL
SCHEMBL6682432 0.74 RAB9A (0.53) FFAR1

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 2 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 claimed
US-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2005-03-24 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 (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 FFAR1 4172/4885ROCK2 3224/4885ROCK1 3290/4885

“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.