SCHEMBL1963794

SCHEMBL1963794

O=S(=O)(c1ccccc1)n1c(C(O)CC2CCCCO2)cc2cccnc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.41
ALDH1A1 P00352 3/20 0.38
CYP2C19 P33261 1/20 0.38
ATM Q13315 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
FFAR2 O15552 1/20 0.35
LMNA P02545 3/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 1/20 0.35
HRH1 P35367 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PER2 O15055 1/20 0.35
CRY1 Q16526 1/20 0.35
CRY2 Q49AN0 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34

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
SCHEMBL1959937 0.97 RECQL (0.41) RECQLALDH1A1CYP2C19ATMPTGDR2
SCHEMBL1961542 0.86 RECQL (0.45) RECQLALDH1A1CYP2C19PTGDR2CNR1
SCHEMBL1963113 0.83 RECQL (0.43) RECQLALDH1A1CYP2C19PTGDR2CNR1
SCHEMBL1962683 0.81 ALDH1A1 (0.39) ALDH1A1CYP2C19LMNATSHRKDM4E
SCHEMBL1962539 0.81 ALDH1A1 (0.41) ALDH1A1CYP2C19ATMPTGDR2CNR1
SCHEMBL1963828 0.78 RECQL (0.39) RECQLALDH1A1CYP2C19PTGDR2LMNA
SCHEMBL1959418 0.78 ALDH1A1 (0.41) ALDH1A1CYP2C19ATMPTGDR2LMNA
SCHEMBL27873111 0.77 RECQL (0.41) RECQLALDH1A1CYP2C19PTGDR2CNR1
SCHEMBL1960993 0.75 RECQL (0.48) RECQLALDH1A1CYP2C19ATMPTGDR2
SCHEMBL1963592 0.74 RECQL (0.47) RECQLALDH1A1CYP2C19ATMPTGDR2

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 3296/4885ALDH1A1 769/4885CYP2C19 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.