SCHEMBL1963828

SCHEMBL1963828

O=S(=O)(c1ccccc1)n1c(C(O)CC2CCC3(C2)OCCO3)cc2cccnc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.39
POLB P06746 1/20 0.36
CYP2C19 P33261 1/20 0.35
MMP2 P08253 7/20 0.34
ANPEP P15144 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
ADAM17 P78536 1/20 0.34
MMP17 Q9ULZ9 1/20 0.34
CCNE1 P24864 2/20 0.33
CDK2 P24941 2/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
PDE5A O76074 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 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
SCHEMBL1963113 0.84 RECQL (0.43) RECQLPOLBCYP2C19PTGDR2CCNE1
SCHEMBL1961542 0.83 RECQL (0.45) RECQLCYP2C19PTGDR2CCNE1CDK2
SCHEMBL1962044 0.82 ALDH1A1 (0.39) RECQLPOLBCYP2C19MMP2ANPEP
SCHEMBL1959937 0.79 RECQL (0.41) RECQLPOLBCYP2C19PTGDR2ALDH1A1
SCHEMBL1963794 0.78 RECQL (0.41) RECQLCYP2C19PTGDR2CCNE1CDK2
SCHEMBL1960993 0.73 RECQL (0.48) RECQLCYP2C19PTGDR2CCNE1CDK2
SCHEMBL1961733 0.72 GCK (0.34) RECQLPOLBCYP2C19MMP2ANPEP
SCHEMBL1961735 0.72 GCK (0.34) RECQLPOLBCYP2C19MMP2ANPEP
SCHEMBL1961732 0.72 GCK (0.34) RECQLPOLBCYP2C19MMP2ANPEP
SCHEMBL27873111 0.72 RECQL (0.41) RECQLCYP2C19PTGDR2CCNE1CDK2

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 RECQL 3296/4885POLB 3362/4885CYP2C19 792/4885

“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.