SCHEMBL1960993

SCHEMBL1960993

CC(C)CC(O)c1cc2cccnc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.48
CYP2C19 P33261 2/20 0.45
PTGDR2 Q9Y5Y4 8/20 0.45
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
CCNE1 P24864 2/20 0.39
CDK2 P24941 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ENPP1 P22413 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
CCKAR P32238 1/20 0.36
HTR6 P50406 2/20 0.35
NTRK1 P04629 1/20 0.35

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
SCHEMBL1963592 0.85 RECQL (0.47) RECQLCYP2C19PTGDR2ALDH1A1LMNA
SCHEMBL1963085 0.83 RECQL (0.39) RECQLPTGDR2ALDH1A1LMNAMAPT
SCHEMBL1961542 0.80 RECQL (0.45) RECQLCYP2C19PTGDR2ALDH1A1LMNA
SCHEMBL27889569 0.79 ALDH1A1 (0.36) RECQLPTGDR2ALDH1A1LMNAMAPT
SCHEMBL1962040 0.79 NAMPT (0.37) RECQLPTGDR2ALDH1A1MAPTKDM4E
SCHEMBL28987741 0.79 CYP2C19 (0.52) RECQLCYP2C19PTGDR2ALDH1A1LMNA
SCHEMBL1963733 0.78 ALDH1A1 (0.47) RECQLCYP2C19PTGDR2ALDH1A1LMNA
SCHEMBL1963113 0.78 RECQL (0.43) RECQLCYP2C19PTGDR2ALDH1A1LMNA
SCHEMBL30337641 0.77 CYP2C19 (0.56) RECQLCYP2C19PTGDR2ALDH1A1LMNA
SCHEMBL1772416 0.77 CYP2C19 (0.56) RECQLCYP2C19PTGDR2ALDH1A1LMNA

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 3296/4885CYP2C19 792/4885PTGDR2 1782/4885

“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.