SCHEMBL3388057

SCHEMBL3388057

CCS(=O)(=O)c1ccc(C(=CC2CCOCC2)C(=O)Nc2ccncn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 5/20 0.56
RORC P51449 2/20 0.34
EPHX2 P34913 1/20 0.33
KDM4A O75164 1/20 0.32
KDM4B O94953 1/20 0.32
KDM5C P41229 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
STAT3 P40763 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
NAMPT P43490 3/20 0.32
MAPK14 Q16539 1/20 0.31
MAPKAPK2 P49137 1/20 0.31

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
SCHEMBL2662383 1.00 GCK (0.56) GCKRORCEPHX2KDM4AKDM4B
SCHEMBL3389184 0.94 GCK (0.54) GCKRORCEPHX2MEN1ALDH1A1
SCHEMBL3389187 0.94 GCK (0.54) GCKRORCEPHX2MEN1ALDH1A1
SCHEMBL3389196 0.83 GCK (0.53) GCKRORCMEN1ALDH1A1HTT
SCHEMBL2662459 0.83 GCK (0.53) GCKRORCMEN1ALDH1A1HTT
SCHEMBL2659027 0.80 GCK (0.47) GCK
SCHEMBL2659025 0.80 GCK (0.47) GCK
SCHEMBL2652233 0.77 GCK (0.48) GCKRORC
SCHEMBL2652234 0.77 GCK (0.48) GCKRORC
SCHEMBL2658456 0.75 GCK (0.49) GCKALDH1A1HTTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168962-A2 PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE MODULATORS Prosidion Limited (GB) 2010-03-31 EP claimed
US-20070281946-A1 TRI(CYCLO) SUBSTITUTED AMIDE COMPOUNDS OSI PHARMACEUTICALS, INC. 2007-12-06 US claimed
US-20040181067-A1 Tri(cyclo) substituted amide compounds OSI PHARMACEUTICALS, INC. 2004-09-16 US claimed
EP-2168962-A2 PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE MODULATORS Prosidion Limited (GB) 2010-03-31 EP disclosed
US-7582632-B2 Tri(cyclo) substituted amide compounds PROSIDION LIMITED (GB) 2009-09-01 US disclosed
US-20070281946-A1 TRI(CYCLO) SUBSTITUTED AMIDE COMPOUNDS OSI PHARMACEUTICALS, INC. 2007-12-06 US disclosed
US-7214681-B2 Tri(cyclo) substituted amide compounds PROSIDION LIMITED (GB) 2007-05-08 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 (2 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-20040181067-A1 Tri(cyclo) substituted amide compounds GPR119, IAPP, SLC5A1 GCK 60/4885RORC 1406/4885EPHX2 4175/4885
US-20070281946-A1 TRI(CYCLO) SUBSTITUTED AMIDE COMPOUNDS IAPP, GPR119, SLC5A1 GCK 70/4885RORC 1383/4885EPHX2 4207/4885

“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.