SCHEMBL1961245

SCHEMBL1961245

CSc1ccc(C(O)(CC2CCC2)c2cc3cc(F)cnc3n2S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.33
HTR6 P50406 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
PKM P14618 1/20 0.31
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
CASP3 P42574 2/20 0.31
CASP7 P55210 2/20 0.31
GCK P35557 2/20 0.31
TP53 P04637 2/20 0.31
MAPT P10636 2/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL1959161 0.98 GCK (0.33) CHRM3HTR6MEN1KMT2APKM
SCHEMBL1959597 0.90 CCR2 (0.36) CHRM3GCK
SCHEMBL1960340 0.89 GCK (0.36) CHRM3GCK
SCHEMBL2054075 0.88 NR3C2 (0.32) CHRM3GCK
SCHEMBL1962132 0.87 GCK (0.32) CHRM3HTR6GCK
SCHEMBL27889561 0.86 FKBP1A (0.32) CHRM3
SCHEMBL27873097 0.86 NR1H3 (0.30) CHRM3
SCHEMBL1962937 0.86 GCK (0.40) CHRM3HTR6MEN1KMT2APKM
SCHEMBL1960337 0.86 GCK (0.33) CHRM3HTR6GCK
SCHEMBL1961501 0.76 GCK (0.45) CHRM3PKMGCKSMN1; SMN2

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 CHRM3 3330/4885HTR6 1441/4885MEN1 2759/4885

“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.