SCHEMBL4416558

SCHEMBL4416558

C[S+]([O-])c1ccc(-c2nc(COC3CCN(C(=O)OC4(C)CCC4)CC3)no2)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.39
CCR6 P51684 1/20 0.36
SPHK1 Q9NYA1 4/20 0.36
SPHK2 Q9NRA0 3/20 0.36
NR1H4 Q96RI1 1/20 0.34
KCNH2 Q12809 2/20 0.33
HTR1B P28222 1/20 0.33
SLC6A9 P48067 1/20 0.33
MCHR1 Q99705 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
S1PR1 P21453 1/20 0.33

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
SCHEMBL4562543 0.88 GPR119 (0.43) GPR119CCR6SMN1; SMN2
SCHEMBL4422350 0.87 GPR119 (0.53) GPR119
SCHEMBL4415731 0.85 GPR119 (0.57) GPR119SMN1; SMN2
SCHEMBL4422114 0.84 GPR119 (0.46) GPR119
SCHEMBL4415589 0.83 GPR119 (0.41) GPR119CCR6SPHK1SPHK2
SCHEMBL4425713 0.79 GPR119 (0.51) GPR119
SCHEMBL4422156 0.79 GPR119 (0.51) GPR119
SCHEMBL4411702 0.78 GPR119 (0.51) GPR119SPHK1SPHK2
SCHEMBL4427077 0.77 GPR119 (0.50) GPR119MCHR1
SCHEMBL4427193 0.76 GPR119 (0.49) GPR119

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-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

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 1/4885CCR6 1571/4885SPHK1 686/4885

“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.