SCHEMBL4414082

SCHEMBL4414082

COCCS(=O)(=O)c1ccc(-c2nc(COC3CCN(C(=O)O)CC3)no2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.39
CNR2 P34972 1/20 0.38
S1PR1 P21453 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MCHR1 Q99705 1/20 0.36
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
SMPD1 P17405 2/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35

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
SCHEMBL13598250 0.89 GPR119 (0.49) GPR119MMP1MMP2MMP3MMP9
SCHEMBL4416009 0.84 CHRM2 (0.37) KCNH2S1PR1MCHR1CHRM2CHRM4
SCHEMBL4424803 0.82 SPHK1 (0.46) S1PR1SMN1; SMN2MCHR1NPC1RAB9A
SCHEMBL4414279 0.81 HDAC4 (0.46) S1PR1MCHR1NPC1ALDH1A1RAB9A
SCHEMBL4415897 0.80 GPR119 (0.51) GPR119MMP1MMP2MMP3MMP9
SCHEMBL4415809 0.79 GPR119 (0.53) GPR119MMP1MMP2MMP3MMP9
SCHEMBL4412893 0.78 SPHK1 (0.47) KCNH2SMN1; SMN2MCHR1CHRM2NPC1
SCHEMBL4419176 0.77 GPR119 (0.43) SMN1; SMN2CHRM2CHRM1GPR119MMP1
SCHEMBL4415854 0.76 SPHK2 (0.55) S1PR1MCHR1SPHK1
SCHEMBL4415741 0.76 HDAC4 (0.43) KCNH2S1PR1SMPD1SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KCNH2 1932/4885CNR2 123/4885S1PR1 308/4885

“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.