SCHEMBL2646019

SCHEMBL2646019

CS(=O)(=O)c1ccc(C(=CC2CCCCC2)C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 12/20 0.56
PTGS2 P35354 5/20 0.52
KMT2A Q03164 1/20 0.52
AKR1C2 P52895 3/20 0.50
AKR1C1 Q04828 3/20 0.50

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
SCHEMBL2646211 1.00 AKR1C3 (0.56) AKR1C3PTGS2KMT2AAKR1C2AKR1C1
SCHEMBL2645355 1.00 AKR1C3 (0.56) AKR1C3PTGS2KMT2AAKR1C2AKR1C1
SCHEMBL2645359 1.00 AKR1C3 (0.56) AKR1C3PTGS2KMT2AAKR1C2AKR1C1
SCHEMBL2646214 1.00 AKR1C3 (0.56) AKR1C3PTGS2KMT2AAKR1C2AKR1C1
SCHEMBL2646015 1.00 AKR1C3 (0.56) AKR1C3PTGS2KMT2AAKR1C2AKR1C1
SCHEMBL2646494 0.99 AKR1C3 (0.57) AKR1C3PTGS2KMT2AAKR1C2AKR1C1
SCHEMBL2646492 0.99 AKR1C3 (0.57) AKR1C3PTGS2KMT2AAKR1C2AKR1C1
SCHEMBL2669023 0.88 KMT2A (0.51) AKR1C3PTGS2KMT2AAKR1C2AKR1C1
SCHEMBL2650569 0.86 GCK (0.61) AKR1C3PTGS2AKR1C2AKR1C1
SCHEMBL2665977 0.86 AKR1C3 (0.54) AKR1C3PTGS2AKR1C2AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1242397-B1 TRANS OLEFINIC GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2005-09-28 EP disclosed
WO-2004063179-A1 SUBSTITUTED ARYLCYCLOPROPYLACETAMIDES AS GLUCOKINASE ACTIVATORS ELI LILLY AND COMPANY (US) 2004-07-29 WO disclosed
EP-1242397-A1 TRANS OLEFINIC GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-09-25 EP disclosed
US-6353111-B1 WHICH INCREASE INSULIN SECRETION IN THE TREATMENT OF TYPE II DIABETES; 2,3-DI-SUBSTITUTED TRANS OLEFINIC N-HETEROAROMATIC OR URIDO PROPIONAMIDES: THE SUBSTITUTION AT THE 2-POSITION BEING A SUBSTITUTED PHENYL GROUP AND AT THE 3-POSITION A HOFFMANN-LA ROCHE INC. 2002-03-05 US disclosed
WO-2001044216-A1 TRANS OLEFINIC GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2001-06-21 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 1483/4885KMT2A 1603/4885

“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.