SCHEMBL6155039

SCHEMBL6155039

FC(F)(F)c1cccc(Oc2cccc(-c3nnc(NCc4ccc(Cl)c(Cl)c4)s3)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 2/20 0.41
CLK1 P49759 1/20 0.41
DYRK1A Q13627 1/20 0.41
AKT1 P31749 4/20 0.41
CDK2 P24941 3/20 0.41
CACNA1B Q00975 1/20 0.40
HTR2A P28223 2/20 0.39
SLC6A4 P31645 2/20 0.39
KCNH2 Q12809 2/20 0.39
CSNK1D P48730 1/20 0.38
P2RY1 P47900 1/20 0.38
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
PPARA Q07869 2/20 0.37
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
GUSB P08236 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL6153748 0.83 GUSB (0.54) P2RY1PIM1PIM3GUSBNPSR1
SCHEMBL6155036 0.74 HSD17B10 (0.38) HTR2ASLC6A4KCNH2P2RY1PIM1
SCHEMBL6153845 0.74 GUSB (0.48) P2RY1GUSBNPSR1L3MBTL1
SCHEMBL5557739 0.73 KDM4E (0.47) P2RY1L3MBTL1
SCHEMBL6680592 0.73 LMNA (0.42) CACNA1BP2RY1PPARAPPARGPPARD
SCHEMBL5552851 0.73 NOTUM (0.56) CYP1A2CYP2C9CYP2C19NPSR1L3MBTL1
SCHEMBL6154582 0.72 CETP (0.41) CACNA1BP2RY1PPARAPPARGPPARD
SCHEMBL6153971 0.72 S1PR1 (0.40) CACNA1BP2RY1THRATHRB
SCHEMBL6154990 0.71 P2RY1 (0.40) CACNA1BP2RY1PPARAPPARGPPARD
SCHEMBL6155264 0.71 CETP (0.40) CACNA1BP2RY1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1446110-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES Structural Bioinformatics Inc. (US) 2004-08-18 EP claimed
WO-2003032916-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES STRUCTURAL BIOINFORMATICS INC. (US) 2003-04-24 WO 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 CLK4 3214/4885CLK1 3391/4885DYRK1A 241/4885

“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.