SCHEMBL1962522

SCHEMBL1962522

COC(=O)c1cnc2c(c1)cc(C(=CC1CCCC1)c1ccc(SC)nc1)n2S(=O)(=O)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.33
HTR6 P50406 1/20 0.33
HDAC3 O15379 2/20 0.32
HDAC4 P56524 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC7 Q8WUI4 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC10 Q969S8 2/20 0.32
HDAC11 Q96DB2 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC9 Q9UKV0 2/20 0.32

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
SCHEMBL1962521 1.00 ALDH1A1 (0.34) ALDH1A1CYP1A2POLBCYP3A4CYP2D6
SCHEMBL1962225 0.88 GCK (0.35) ALDH1A1GAAMAPTHDAC3HDAC4
SCHEMBL1962228 0.88 GCK (0.35) ALDH1A1GAAMAPTHDAC3HDAC4
SCHEMBL1963266 0.88 PTGS2 (0.38) ALDH1A1GAAMAPTHDAC3HDAC4
SCHEMBL1963267 0.88 PTGS2 (0.38) ALDH1A1GAAMAPTHDAC3HDAC4
SCHEMBL1961506 0.86 GCK (0.37) ALDH1A1CYP3A4CYP2C19MAPTHDAC3
SCHEMBL1961504 0.86 GCK (0.37) ALDH1A1CYP3A4CYP2C19MAPTHDAC3
SCHEMBL1959339 0.86 GCK (0.33) ALDH1A1GAAMAPTHDAC3HDAC4
SCHEMBL1959340 0.86 GCK (0.33) ALDH1A1GAAMAPTHDAC3HDAC4
SCHEMBL1959819 0.81 GCK (0.40) ALDH1A1CYP2C19MAPTHDAC3HDAC4

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 769/4885CYP1A2 580/4885POLB 3362/4885

“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.