SCHEMBL6153663

SCHEMBL6153663

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.42
ROCK1 Q13464 3/20 0.42
ROCK2 O75116 2/20 0.42
NOX1 Q9Y5S8 1/20 0.42
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
MAPT P10636 2/20 0.41
GLS O94925 1/20 0.40
ESR1 P03372 1/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
VDR P11473 1/20 0.40
RXRA P19793 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
SCHEMBL6154992 0.92 FFAR1 (0.46) SIRT2ROCK1ROCK2NOX1CTSV
SCHEMBL6154251 0.80 NR1H4 (0.54) ROCK1ROCK2NOX1CTSVCTSL
SCHEMBL6677986 0.79 PIK3CD (0.41) SIRT2ROCK1ROCK2NOX1CTSV
SCHEMBL6155089 0.79 PIK3CD (0.48) SIRT2ROCK1ROCK2NOX1CTSV
SCHEMBL5557794 0.77 HDAC6 (0.52) NOX1PIK3CDPIK3CAPIK3CBGLS
SCHEMBL6155528 0.76 GUSB (0.57) ROCK1ROCK2MAPTESR1GAA
SCHEMBL5552894 0.76 HDAC6 (0.55) NOX1PIK3CDPIK3CAPIK3CBMEN1
SCHEMBL5557342 0.74 KMT2A (0.47) NOX1MAPTPPARAFFAR1GAA
SCHEMBL8037910 0.74 ALOX5 (0.61) PPARGPPARDPPARAFFAR1FFAR4
SCHEMBL5558769 0.74 MAPT (0.46) NOX1MAPTMEN1ALDH1A1KMT2A

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 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 PDE4A 1301/4885PDE4B 1846/4885PDE4C 1377/4885

“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.