SCHEMBL6153549

SCHEMBL6153549

CC(C)(C)c1ccc(C[N]c2ccc(Br)c(Cl)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
MPI P34949 1/20 0.35
CA2 P00918 2/20 0.35
CA1 P00915 1/20 0.34
SLC22A2 O15244 1/20 0.33
SLC22A1 O15245 1/20 0.33
SLC22A3 O75751 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
ESRRB O95718 1/20 0.32
ESRRG P62508 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
APP P05067 1/20 0.32
CCR9 P51686 1/20 0.32
AKR1C2 P52895 1/20 0.31

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
SCHEMBL6155502 0.80 MEN1 (0.43) CASP3SENP8SENP7SENP6CYP1A2
SCHEMBL12883823 0.73 CYP2C19 (0.42) CASP3SENP8SENP7SENP6CYP1A2
SCHEMBL29754416 0.73 CYP2C19 (0.42) CASP3SENP8SENP7SENP6CYP1A2
SCHEMBL6153551 0.71 CA1 (0.52) CA2CA1CYP1A2CYP2C19MEN1
SCHEMBL6155183 0.70 NR1H4 (0.34) CA2CA1NR1H4ESRRBESRRG
SCHEMBL11955043 0.65 ESR1 (0.42) CA2CA1MEN1KMT2ACYP2D6
SCHEMBL32671101 0.63 MAPT (0.41) CASP3SENP8SENP7SENP6CYP2C19
SCHEMBL22366917 0.63 PDE2A (0.38) CASP3SENP8SENP7SENP6MEN1
SCHEMBL19480808 0.63 PDE2A (0.41) CASP3SENP8SENP7SENP6MEN1
SCHEMBL6158039 0.63 SIGMAR1 (0.39) CYP1A2

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 CASP3 3564/4885SENP8 3452/4885SENP7 3593/4885

“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.