SCHEMBL1963672

SCHEMBL1963672

COCC#Cc1cnc2c(c1)cc(C(=O)CC1CCCC1)n2S(=O)(=O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.34
BCHE P06276 2/20 0.33
HTR6 P50406 2/20 0.33
F2 P00734 4/20 0.32
LMNA P02545 2/20 0.32
ACHE P22303 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
HPGD P15428 1/20 0.31
ADAM17 P78536 1/20 0.31
FAAH O00519 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 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
SCHEMBL1959207 0.84 AADAT (0.36) BCHEHTR6LMNAACHEALDH1A1
SCHEMBL1958748 0.83 FKBP1A (0.38) HTR6LMNAMAPTNPC1RAB9A
SCHEMBL1960371 0.83 PTGDR (0.34) PTGDRBCHEHTR6F2LMNA
SCHEMBL1960226 0.83 FKBP1A (0.38) HTR6LMNAACHEALDH1A1MAPT
SCHEMBL1962993 0.82 PDE5A (0.38) LMNAALDH1A1MAPTCYP2C19
SCHEMBL1958747 0.82 ALDH1A1 (0.38) BCHEHTR6LMNAALDH1A1RAB9A
SCHEMBL1959282 0.80 ALDH1A1 (0.36) PTGDRBCHEHTR6LMNAALDH1A1
SCHEMBL1962927 0.80 GCK (0.33) PTGDR
SCHEMBL1962930 0.80 GCK (0.33) PTGDR
SCHEMBL1962253 0.79 NOD2 (0.32) PTGDR

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 PTGDR 2060/4885BCHE 1727/4885HTR6 1441/4885

“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.