SCHEMBL2642039

SCHEMBL2642039

CSc1ccc(C(CC2CCCCO2)C(=O)O)cc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 14/20 0.38
AKR1C2 P52895 14/20 0.38
AKR1B10 O60218 2/20 0.37
AKR1C4 P17516 2/20 0.37
AKR1C1 Q04828 2/20 0.37
HPGD P15428 2/20 0.37
MAPK1 P28482 1/20 0.35
NPC1 O15118 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 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
SCHEMBL2642051 0.97 HPGD (0.40) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL2642855 0.87 AKR1C3 (0.42) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL2646820 0.85 AKR1C3 (0.41) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL2646295 0.85 AKR1C3 (0.41) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL2641951 0.83 CNR2 (0.41) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL2642859 0.81 HPGD (0.42) HPGDKDM4EALDH1A1TSHR
SCHEMBL2642268 0.78 KCNH2 (0.46) HPGDNPC1KDM4EALDH1A1GLA
SCHEMBL2642280 0.76 HPGD (0.44) HPGDALDH1A1TSHR
SCHEMBL1861372 0.74 SLC6A3 (0.50) HPGDALDH1A1
SCHEMBL2642544 0.74 SLC6A3 (0.50) HPGDALDH1A1

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-7259166-B2 Substituted-cycloalkyl and oxygenated-cycloalkyl glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2007-08-21 US disclosed
EP-1501815-B1 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2006-11-22 EP disclosed
US-7105671-B2 Substituted-cycloalkyl and oxygenated-cycloalkyl glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2006-09-12 US disclosed
US-20060178429-A1 Substituted-cycloalkyl and oxygenated-cycloalkyl glucokinase activators CORBETT WENDY L 2006-08-10 US disclosed
EP-1501815-A1 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-02 EP disclosed
WO-2003095438-A9 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2004-12-23 WO disclosed
US-20030225283-A1 Substituted-cycloalkyl and oxygenated-cycloalkyl glucokinase activators CORBETT WENDY LEA (US) 2003-12-04 US disclosed
WO-2003095438-A1 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-11-20 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-20060178429-A1 Substituted-cycloalkyl and oxygenated-cycloalkyl glucokinase activators GCKR, GCK, PDXK AKR1C3 761/4885AKR1C2 545/4885AKR1B10 1227/4885
US-20030225283-A1 Substituted-cycloalkyl and oxygenated-cycloalkyl glucokinase activators GCKR, GCK, PDXK AKR1C3 761/4885AKR1C2 545/4885AKR1B10 1227/4885

“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.