SCHEMBL2609928

SCHEMBL2609928

CSc1ccn(CC(=O)OC(C)(C)C)c(=O)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.51
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
FPR2 P25090 5/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
POLB P06746 1/20 0.33
F11 P03951 1/20 0.33
ELANE P08246 1/20 0.32

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
SCHEMBL7644358 0.81 HDAC6 (0.54) HDAC6ALDH1A1KDM4EKMT2AFPR2
SCHEMBL16137958 0.80 HDAC6 (0.53) HDAC6ALDH1A1KDM4EKMT2AFPR2
SCHEMBL20592531 0.79 HDAC6 (0.52) HDAC6ALDH1A1KDM4EKMT2AFPR2
SCHEMBL21488666 0.78 HDAC6 (0.51) HDAC6ALDH1A1KDM4EKMT2AFPR2
SCHEMBL28254025 0.75 KDM4E (0.50) HDAC6ALDH1A1KDM4EKMT2APOLB
SCHEMBL7638300 0.74 HDAC6 (0.47) HDAC6ALDH1A1KDM4E
SCHEMBL7643485 0.73 HDAC6 (0.52) HDAC6ALDH1A1KDM4EGPR119ELANE
SCHEMBL7641512 0.73 MAPK14 (0.62)
SCHEMBL16753833 0.72 HDAC6 (0.48) HDAC6ALDH1A1KDM4E
SCHEMBL23397121 0.70 KMT2A (0.46) HDAC6ALDH1A1KDM4EHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8530499-B2 Glucokinase activators TAKEDA SAN DIEGO, INC. (US) 2013-09-10 US disclosed
US-8530499-B2 Glucokinase activators TAKEDA SAN DIEGO, INC. (US) 2013-09-10 US disclosed
US-20120252814-A1 Glucokinase Activators TAKEDA CALIFORNIA, INC. (US) 2012-10-04 US disclosed
US-20120252814-A1 Glucokinase Activators TAKEDA CALIFORNIA, INC. (US) 2012-10-04 US disclosed
US-8163779-B2 Glucokinase activators TAKEDA SAN DIEGO, INC. (US) 2012-04-24 US disclosed
US-8163779-B2 Glucokinase activators TAKEDA SAN DIEGO, INC. (US) 2012-04-24 US disclosed
US-20090105255-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2009-04-23 US disclosed
US-20090105255-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2009-04-23 US disclosed
WO-2008079787-A2 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2008-07-03 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-20120252814-A1 Glucokinase Activators GCK, GCKR, GALK1 HDAC6 1798/4885ALDH1A1 1177/4885KDM4E 2490/4885
US-20090105255-A1 GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 HDAC6 1798/4885ALDH1A1 1177/4885KDM4E 2490/4885

“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.