SCHEMBL1581756

SCHEMBL1581756

CC(C)(C)C/C=C(/CO)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
ENPP2 Q13822 1/20 0.39
PTGS2 P35354 4/20 0.39
GSR P00390 2/20 0.39
AKR1C3 P42330 1/20 0.39
ESR2 Q92731 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
SCHEMBL1581759 1.00 EPHX2 (0.40) EPHX2NR1H4ENPP2PTGS2GSR
SCHEMBL1582072 0.78 ENPP2 (0.39) ENPP2PTGS2GSRAKR1C3ESR2
SCHEMBL1582074 0.78 ENPP2 (0.39) ENPP2PTGS2GSRAKR1C3ESR2
SCHEMBL1582139 0.76 PTGS2 (0.37) ENPP2PTGS2GSRAKR1C3
SCHEMBL1582135 0.76 PTGS2 (0.37) ENPP2PTGS2GSRAKR1C3
SCHEMBL1582273 0.76 ENPP2 (0.47) ENPP2PTGS2GSRAKR1C3
SCHEMBL1582276 0.76 ENPP2 (0.47) ENPP2PTGS2GSRAKR1C3
SCHEMBL1581870 0.73 KMT2A (0.47) PTGS2ESR2
SCHEMBL1581873 0.73 KMT2A (0.47) PTGS2ESR2
SCHEMBL1581792 0.72 AKR1C3 (0.43) PTGS2AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1585739-B1 SUBSTITUTED ARYLCYCLOPROPYLACETAMIDES AS GLUCOKINASE ACTIVATORS LILLY CO ELI (US) 2011-04-20 EP disclosed
US-7576108-B2 Substituted arylcyclopropylacetamides as glucokinase activators ELI LILLY AND COMPANY (US) 2009-08-18 US disclosed
US-20060111353-A1 Substituted arylcyclopropylacetamides as glucokinase activators ELI LILLY AND COMPANY 2006-05-25 US disclosed
EP-1585739-A1 SUBSTITUTED ARYLCYCLOPROPYLACETAMIDES AS GLUCOKINASE ACTIVATORS ELI LILLY AND COMPANY (US) 2005-10-19 EP disclosed
WO-2004063179-A1 SUBSTITUTED ARYLCYCLOPROPYLACETAMIDES AS GLUCOKINASE ACTIVATORS ELI LILLY AND COMPANY (US) 2004-07-29 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 (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-20060111353-A1 Substituted arylcyclopropylacetamides as glucokinase activators GCK, GCKR, GALK1 EPHX2 3898/4885NR1H4 3202/4885ENPP2 1511/4885

“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.