SCHEMBL1581792

SCHEMBL1581792

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

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 6/20 0.43
PTGS2 P35354 2/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL1581794 1.00 AKR1C3 (0.43) AKR1C3PTGS2ALDH1A1
SCHEMBL1582010 0.82 AKR1C3 (0.43) AKR1C3PTGS2ALDH1A1
SCHEMBL1582012 0.82 AKR1C3 (0.43) AKR1C3PTGS2ALDH1A1
SCHEMBL1582067 0.80 MAPT (0.46) AKR1C3ALDH1A1
SCHEMBL1582071 0.80 MAPT (0.46) AKR1C3ALDH1A1
SCHEMBL1582055 0.80 AKR1C3 (0.41) AKR1C3PTGS2ALDH1A1
SCHEMBL1582057 0.80 AKR1C3 (0.41) AKR1C3PTGS2ALDH1A1
SCHEMBL1581960 0.78 AKR1C3 (0.47) AKR1C3PTGS2ALDH1A1
SCHEMBL1581391 0.77 KMT2A (0.44) AKR1C3ALDH1A1
SCHEMBL1581394 0.77 KMT2A (0.44) AKR1C3ALDH1A1

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 AKR1C3 906/4885PTGS2 1483/4885ALDH1A1 510/4885

“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.