SCHEMBL1963274

SCHEMBL1963274

COc1cnc2c(c1)cc(C(=O)CC1CCCO1)n2S(=O)(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.40
HTT P42858 1/20 0.40
PKM P14618 2/20 0.40
KDM4E B2RXH2 3/20 0.39
CYP1A2 P05177 6/20 0.39
CYP3A4 P08684 6/20 0.39
USP2 O75604 5/20 0.39
CYP2C9 P11712 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TSHR P16473 2/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
LMNA P02545 2/20 0.39
HIF1A Q16665 2/20 0.39
MAPK1 P28482 2/20 0.39
CLK4 Q9HAZ1 1/20 0.39
HSD17B10 Q99714 2/20 0.38
CYP2C19 P33261 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL1958748 0.87 FKBP1A (0.38) HTTPKMMEN1KMT2ALMNA
SCHEMBL1964026 0.86 PIK3CG (0.37) ALDH1A1HTTPKMKDM4EUSP2
SCHEMBL1960226 0.86 FKBP1A (0.38) ALDH1A1HTTPKMKDM4EMEN1
SCHEMBL1959418 0.84 ALDH1A1 (0.41) ALDH1A1PKMKDM4ETSHRLMNA
SCHEMBL1962683 0.83 ALDH1A1 (0.39) ALDH1A1HTTPKMKDM4ECYP1A2
SCHEMBL1962539 0.81 ALDH1A1 (0.41) ALDH1A1PKMTSHRLMNACYP2C19
SCHEMBL1962544 0.79 ALDH1A1 (0.37) ALDH1A1HTTKDM4ECYP1A2CYP3A4
SCHEMBL1961509 0.77 ALDH1A1 (0.38) ALDH1A1HTTPKMKDM4ECYP1A2
SCHEMBL1962993 0.76 PDE5A (0.38) ALDH1A1PKMKDM4EMEN1KMT2A
SCHEMBL1958747 0.74 ALDH1A1 (0.38) ALDH1A1KDM4EKMT2ALMNAHSD17B10

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 769/4885HTT 2485/4885PKM 182/4885

“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.