SCHEMBL2701465

SCHEMBL2701465

COC(=O)/C=C(\CBr)Oc1cccc(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.46
MGLL Q99685 7/20 0.44
MCHR1 Q99705 1/20 0.43
P4HB P07237 1/20 0.42
PRSS1 P07477 1/20 0.41
ACR P10323 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
SMPD1 P17405 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38

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
SCHEMBL1068246 1.00 GSK3B (0.46) GSK3BMGLLMCHR1P4HBPRSS1
SCHEMBL2701471 1.00 GSK3B (0.46) GSK3BMGLLMCHR1P4HBPRSS1
SCHEMBL1066999 0.88 PDCD1 (0.46) GSK3BMGLLMCHR1P4HBPRSS1
SCHEMBL1067001 0.88 PDCD1 (0.46) GSK3BMGLLMCHR1P4HBPRSS1
SCHEMBL1067003 0.88 PDCD1 (0.46) GSK3BMGLLMCHR1P4HBPRSS1
SCHEMBL1067886 0.81 MGLL (0.47) MGLLMCHR1P4HBPRSS1ACR
SCHEMBL1067887 0.81 MGLL (0.47) MGLLMCHR1P4HBPRSS1ACR
SCHEMBL1067883 0.81 MGLL (0.47) MGLLMCHR1P4HBPRSS1ACR
SCHEMBL20463239 0.79 MTNR1A (0.39)
SCHEMBL28577855 0.74 MGLL (0.50) GSK3BMGLLP4HBPRSS1ACR

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
EP-2274297-B1 PYRROLIDINONE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2012-05-09 EP disclosed
US-7741327-B2 Pyrrolidinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2010-06-22 US disclosed
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 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-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 GSK3B 2528/4885MGLL 1910/4885MCHR1 4585/4885

“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.