SCHEMBL6155082

SCHEMBL6155082

c1ccc(CCCSc2cccc(Nc3nnc(-c4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)s3)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
SIRT2 Q8IXJ6 2/20 0.37
NOX1 Q9Y5S8 1/20 0.37
KMT2A Q03164 5/20 0.37
BCHE P06276 1/20 0.36
CTSV O60911 1/20 0.36
CTSL P07711 1/20 0.36
MEN1 O00255 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
HDAC1 Q13547 4/20 0.35
HDAC2 Q92769 4/20 0.35
HDAC8 Q9BY41 3/20 0.35

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
SCHEMBL5552375 0.83 HDAC1 (0.41) KMT2ACTSVCTSLMEN1ROCK2
SCHEMBL6162257 0.83 PIK3CD (0.40) PIK3CDPIK3CAPIK3CBMGAMGAA
SCHEMBL6155089 0.81 PIK3CD (0.48) PIK3CDPIK3CAPIK3CBMGAMGAA
SCHEMBL5557652 0.79 MRGPRX4 (0.43) KMT2AMEN1SMN1; SMN2ROCK2ROCK1
SCHEMBL5558493 0.78 MAPT (0.36) KMT2AMEN1SMN1; SMN2HDAC1HDAC2
SCHEMBL5557342 0.78 KMT2A (0.47) GAANOX1KMT2AMEN1SMN1; SMN2
SCHEMBL6157323 0.78 ROCK2 (0.51) MGAMGAASIMGAM2KMT2A
SCHEMBL6154251 0.77 NR1H4 (0.54) NOX1KMT2ACTSVCTSLMEN1
SCHEMBL5558769 0.77 MAPT (0.46) NOX1KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL5552796 0.77 MAPT (0.42) SIRT2KMT2AMEN1SMN1; SMN2ALDH1A1

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 PIK3CD 2104/4885PIK3CA 2270/4885PIK3CB 1188/4885

“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.