SCHEMBL6154820

SCHEMBL6154820

FC(F)(F)c1cccc(COc2cccc(-c3nnc(Nc4cccc(Br)c4)s3)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45
NR4A2 P43354 2/20 0.43
MAOB P27338 10/20 0.43
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
MAOA P21397 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL6154281 0.80 NOTUM (0.57) PIK3CDPIK3CAPIK3CBROCK2ROCK1
SCHEMBL6153968 0.76 KDM4E (0.52) ROCK1PKMHSD17B10MAPTPOLB
SCHEMBL12336520 0.76 PIK3CD (0.56) PIK3CDPIK3CAPIK3CBMAPT
SCHEMBL6154386 0.75 GUSB (0.51) PIK3CDPIK3CAPIK3CBNR1H2NR1H3
SCHEMBL12336712 0.73 PIK3CD (0.50) PIK3CDPIK3CAPIK3CBMAPT
SCHEMBL6153927 0.72 ALDH1A1 (0.52) ROCK2ROCK1HSD17B10MAPTPOLB
SCHEMBL6154268 0.72 HSD17B1 (0.58) ROCK2ROCK1LMNAPKMHSD17B10
SCHEMBL6153748 0.71 GUSB (0.54) PIK3CDPIK3CAPIK3CBROCK2ROCK1
SCHEMBL5556608 0.71 ROCK2 (0.50) PIK3CDPIK3CAPIK3CBNR4A2ROCK2
SCHEMBL6677843 0.70 MAOB (0.45) NR1H2NR1H3NR4A2MAOBMRGPRX4

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 4 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
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.