SCHEMBL4422346

SCHEMBL4422346

C[S+]([O-])c1ccc(-c2noc(COC3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.67
HDAC4 P56524 3/20 0.42
CACNB4 O00305 1/20 0.40
CACNA1A O00555 1/20 0.40
CACNA1G O43497 1/20 0.40
CACNG3 O60359 1/20 0.40
CACNA1F O60840 1/20 0.40
CACNA1H O95180 1/20 0.40
CACNB3 P54284 1/20 0.40
CACNA2D1 P54289 1/20 0.40
CACNG7 P62955 1/20 0.40
CACNA1B Q00975 1/20 0.40
CACNA1D Q01668 1/20 0.40
CACNB1 Q02641 1/20 0.40
CACNG1 Q06432 1/20 0.40
CACNB2 Q08289 1/20 0.40
CACNA1S Q13698 1/20 0.40
CACNA1C Q13936 1/20 0.40
CACNA1E Q15878 1/20 0.40
CACNA2D4 Q7Z3S7 1/20 0.40

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
SCHEMBL4415855 0.93 GPR119 (0.69) GPR119HDAC4HDAC6CETPPTPN2
SCHEMBL4415988 0.92 GPR119 (0.67) GPR119HDAC4HDAC6SMN1; SMN2CETP
SCHEMBL4413016 0.91 GPR119 (0.66) GPR119HDAC4HDAC6
SCHEMBL4419628 0.90 GPR119 (0.65) GPR119HDAC4CACNB4CACNA1ACACNA1G
SCHEMBL4414300 0.88 GPR119 (0.52) GPR119CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4414293 0.88 GPR119 (0.68) GPR119HDAC4
SCHEMBL4422093 0.87 GPR119 (0.75) GPR119HDAC4HDAC6CYP1A2CYP2D6
SCHEMBL4417299 0.87 GPR119 (0.69) GPR119HDAC4CACNB4CACNA1ACACNA1G
SCHEMBL13598257 0.83 GPR119 (0.62) GPR119HDAC4HDAC6
SCHEMBL4416375 0.83 GPR119 (0.67) 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 2550/4885CACNB4 2237/4885

“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.