SCHEMBL2650366

SCHEMBL2650366

CCCS(=O)(=O)c1ccc(/C(=C\C2CCOCC2)C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCK P35557 1/20 0.46
AKR1C3 P42330 7/20 0.37
ALDH1A1 P00352 2/20 0.36
SLC6A9 P48067 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGS2 P35354 4/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
RECQL P46063 1/20 0.34
RORC P51449 1/20 0.34
AKR1C2 P52895 2/20 0.33
AKR1C1 Q04828 2/20 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
SCHEMBL3390050 1.00 GCK (0.46) GCKAKR1C3ALDH1A1SLC6A9POLB
SCHEMBL2652233 0.91 GCK (0.48) GCKAKR1C3PTGS2RORCAKR1C2
SCHEMBL2652234 0.91 GCK (0.48) GCKAKR1C3PTGS2RORCAKR1C2
SCHEMBL2650569 0.84 GCK (0.61) GCKAKR1C3PTGS2AKR1C2AKR1C1
SCHEMBL2652352 0.84 GCK (0.61) GCKAKR1C3PTGS2AKR1C2AKR1C1
SCHEMBL12574527 0.82 AKR1C3 (0.38) AKR1C3ALDH1A1PTGS2THRATHRB
SCHEMBL2652182 0.81 GCK (0.47) GCKAKR1C3PTGS2AKR1C2AKR1C1
SCHEMBL2652180 0.81 GCK (0.47) GCKAKR1C3PTGS2AKR1C2AKR1C1
SCHEMBL2658452 0.78 GCK (0.49) GCKALDH1A1RAB9ASMN1; SMN2
SCHEMBL3389187 0.78 GCK (0.54) GCKALDH1A1SLC6A9RORC

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 15 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
EP-1594867-A2 PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE MODULATORS Prosidion Limited (GB) 2005-11-16 EP claimed
US-20040181067-A1 Tri(cyclo) substituted amide compounds OSI PHARMACEUTICALS, INC. 2004-09-16 US claimed
WO-2004072031-A2 PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE MODULATORS PROSIDION LIMITED (GB) 2004-08-26 WO claimed
EP-2168962-A2 PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE MODULATORS Prosidion Limited (GB) 2010-03-31 EP disclosed
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-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-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
US-7214681-B2 Tri(cyclo) substituted amide compounds PROSIDION LIMITED (GB) 2007-05-08 US disclosed
US-7214681-B2 Tri(cyclo) substituted amide compounds PROSIDION LIMITED (GB) 2007-05-08 US disclosed
WO-2004072031-A2 PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE MODULATORS PROSIDION LIMITED (GB) 2004-08-26 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 (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 60/4885AKR1C3 809/4885ALDH1A1 1595/4885
US-20070281946-A1 TRI(CYCLO) SUBSTITUTED AMIDE COMPOUNDS IAPP, GPR119, SLC5A1 GCK 70/4885AKR1C3 921/4885ALDH1A1 1846/4885

“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.