SCHEMBL4412913

SCHEMBL4412913

C[S+]([O-])c1ccc(-c2noc(CCOC3CN(C(=O)OC(C)(C)C)C3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.51
HDAC4 P56524 4/20 0.42
HDAC6 Q9UBN7 3/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 3/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 4/20 0.39
TP53 P04637 2/20 0.38
KLF5 Q13887 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.37
TSHR P16473 1/20 0.37
POLB P06746 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
SCHEMBL13598241 0.91 GPR119 (0.61) GPR119HDAC4HDAC6RAB9ANPC1
SCHEMBL4412914 0.90 GPR119 (0.46) GPR119HDAC4HDAC6HDAC1HDAC8
SCHEMBL4411714 0.86 GPR119 (0.51) GPR119HDAC4
SCHEMBL4416042 0.85 GPR119 (0.52) GPR119HDAC4HDAC6RAB9ANPC1
SCHEMBL4414337 0.83 GPR119 (0.56) GPR119HDAC4HDAC6RAB9ANPC1
SCHEMBL4427057 0.82 GPR119 (0.51) GPR119HDAC4HDAC6RAB9ANPC1
SCHEMBL4422093 0.82 GPR119 (0.75) GPR119HDAC4HDAC6SMN1; SMN2ALDH1A1
SCHEMBL4415575 0.79 GPR119 (0.55) GPR119HDAC4HDAC6ALDH1A1HPGD
SCHEMBL12603064 0.77 GPR119 (0.82) GPR119HDAC4HDAC6SMN1; SMN2ALDH1A1
SCHEMBL4423369 0.77 GPR119 (0.62) GPR119HDAC4HDAC6

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-20090325924-A1 GPCR Agonists PROSIDION LIMITED (GB) 2009-12-31 US disclosed
US-20090325924-A1 GPCR Agonists PROSIDION LIMITED (GB) 2009-12-31 US disclosed
US-20090325924-A1 GPCR Agonists PROSIDION LIMITED (GB) 2009-12-31 US disclosed
WO-2007003960-A1 GPCR AGONISTS PROSIDION LIMITED (GB) 2007-01-11 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-20090325924-A1 GPCR Agonists GPR119, GCGR, GPR27 GPR119 1/4885HDAC4 2550/4885HDAC6 2609/4885

“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.