SCHEMBL5095223

SCHEMBL5095223

COc1cccc(NC(N)C(OS(=O)(=O)c2ccc(C)cc2)C(=N)N)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
F2 P00734 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
HSD11B1 P28845 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CYP2D6 P10635 1/20 0.31
MAPK1 P28482 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
TSHR P16473 1/20 0.31
USP2 O75604 1/20 0.31
CYP2C19 P33261 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
SCHEMBL5094494 0.82 KDM4E (0.42) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL5095054 0.82 KDM4E (0.49) ALDH1A1KDM4ELMNAHSD11B1KEAP1
SCHEMBL6087081 0.77 ALDH1A1 (0.34) ALDH1A1LMNAF2PRSS1PRSS2
SCHEMBL5094693 0.74 RAB9A (0.43) ALDH1A1KDM4ELMNAF2MEN1
SCHEMBL5099581 0.74 ALDH1A1 (0.40) ITGB1ITGA4ALDH1A1MEN1KMT2A
SCHEMBL6086161 0.73 PKM (0.33) ALDH1A1KDM4ELMNAF2MEN1
SCHEMBL6085307 0.73 SMN1; SMN2 (0.41) ALDH1A1KDM4ELMNAMAPT
SCHEMBL5093286 0.68 PTGS2 (0.38) ALDH1A1KDM4ELMNAKMT2ACYP2D6
SCHEMBL5094464 0.65 ADRA2A (0.41) ALDH1A1KDM4EMEN1KMT2ACYP2D6
SCHEMBL16571729 0.64 SORT1 (0.43) TAAR1MEN1KMT2AJAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7425557-B2 Inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-16 US disclosed
US-7045519-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-16 US disclosed
US-7037918-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-02 US disclosed
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-04-27 US disclosed
US-20030130289-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2003-07-10 US disclosed
US-6489344-B1 FOR TREATMENT DIABETES IN A HUMAN OR ANIMAL SUBJECT CHIRON CORPORATION 2002-12-03 US disclosed
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2002-10-24 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 (3 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-20030130289-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB TAAR1 4071/4885ITGB1 3059/4885ITGA4 4285/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB TAAR1 4079/4885ITGB1 3064/4885ITGA4 4310/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB TAAR1 4079/4885ITGB1 3064/4885ITGA4 4310/4885

“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.