SCHEMBL1959963

SCHEMBL1959963

CC[S+]([O-])c1cnc2c(c1)cc(C(=O)CC1CCCC1)n2S(=O)(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.33
PDE5A O76074 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
NOD2 Q9HC29 3/20 0.32
NOD1 Q9Y239 3/20 0.32
NAMPT P43490 4/20 0.32
CKS1B P61024 1/20 0.31
SKP1 P63208 1/20 0.31
SKP2 Q13309 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CNR2 P34972 1/20 0.31
ALOX5 P09917 1/20 0.31
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31

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
SCHEMBL1962993 0.84 PDE5A (0.38) ALDH1A1LMNAMAPTPDE5APDE4A
SCHEMBL1959282 0.82 ALDH1A1 (0.36) ALDH1A1LMNAMAPTPDE5APDE4A
SCHEMBL1958748 0.82 FKBP1A (0.38) LMNAMAPTPOLBSMN1; SMN2
SCHEMBL1960226 0.81 FKBP1A (0.38) ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL1959207 0.80 AADAT (0.36) ALDH1A1LMNAMAPTNAMPT
SCHEMBL1958747 0.80 ALDH1A1 (0.38) ALDH1A1LMNANAMPTSMN1; SMN2CDK4
SCHEMBL1962995 0.80 GCK (0.34) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL1962997 0.80 GCK (0.34) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL1962404 0.80 ALDH1A1 (0.41) ALDH1A1LMNAMAPTPDE5APDE4A
SCHEMBL1961946 0.79 ALDH1A1 (0.45) ALDH1A1LMNAMAPTPDE4BCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513103-A1 AZAINDOLE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2012-10-24 EP disclosed
US-8222416-B2 Azaindole glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-07-17 US disclosed
WO-2011073117-A1 AZAINDOLE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 WO disclosed
US-20110144105-A1 AZAINDOLE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2011-06-16 US 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-20110144105-A1 AZAINDOLE GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 ALDH1A1 769/4885LMNA 4695/4885MAPT 4347/4885

“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.