SCHEMBL4414337

SCHEMBL4414337

C[S+]([O-])c1ccc(-c2noc(CCC3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.56
HDAC4 P56524 4/20 0.48
LMNA P02545 3/20 0.46
HPGD P15428 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HDAC6 Q9UBN7 2/20 0.45
RAB9A P51151 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 1/20 0.43
RECQL P46063 1/20 0.43
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL14924229 0.87 GPR119 (0.61) GPR119HDAC4LMNAHPGDALDH1A1
SCHEMBL4422093 0.86 GPR119 (0.75) GPR119HDAC4LMNAHPGDALDH1A1
SCHEMBL4417372 0.86 GPR119 (0.57) GPR119HDAC4
SCHEMBL390317 0.86 GPR119 (0.74) GPR119HDAC4LMNAHPGDALDH1A1
SCHEMBL4414146 0.85 GPR119 (0.58) GPR119HDAC4LMNAHPGDALDH1A1
SCHEMBL4412913 0.83 GPR119 (0.51) GPR119HDAC4LMNAHPGDALDH1A1
SCHEMBL4427057 0.81 GPR119 (0.51) GPR119HDAC4LMNAHPGDALDH1A1
SCHEMBL13598241 0.81 GPR119 (0.61) GPR119HDAC4LMNAALDH1A1HDAC6
SCHEMBL8820917 0.78 GPR119 (0.54) GPR119HDAC4LMNAHPGDALDH1A1
SCHEMBL15785127 0.78 GPR119 (0.62) GPR119HDAC4LMNAALDH1A1HDAC6

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 2550/4885LMNA 4210/4885

“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.