SCHEMBL1962044

SCHEMBL1962044

O=C(CC1CCC2(C1)OCCO2)c1cc2cccnc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
MMP2 P08253 7/20 0.36
ANPEP P15144 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
POLB P06746 1/20 0.36
CYP2C19 P33261 1/20 0.35
CCNE1 P24864 2/20 0.34
CDK2 P24941 2/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
FAAH O00519 1/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
ADAM17 P78536 1/20 0.32
MMP17 Q9ULZ9 1/20 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
SCHEMBL1963039 0.84 LMNA (0.43) ALDH1A1MAPTLMNAPTGDR2CYP2C19
SCHEMBL1961946 0.83 ALDH1A1 (0.45) ALDH1A1MAPTLMNAPTGDR2CYP2C19
SCHEMBL1963828 0.82 RECQL (0.39) ALDH1A1MAPTLMNAMMP2ANPEP
SCHEMBL1959418 0.79 ALDH1A1 (0.41) ALDH1A1MAPTLMNAPTGDR2POLB
SCHEMBL1962539 0.78 ALDH1A1 (0.41) ALDH1A1MAPTLMNAPTGDR2POLB
SCHEMBL1961735 0.77 GCK (0.34) ALDH1A1MAPTLMNAMMP2ANPEP
SCHEMBL1961732 0.77 GCK (0.34) ALDH1A1MAPTLMNAMMP2ANPEP
SCHEMBL1961733 0.77 GCK (0.34) ALDH1A1MAPTLMNAMMP2ANPEP
SCHEMBL1962618 0.74 L3MBTL1 (0.34) ALDH1A1MAPTLMNAMMP2ANPEP
SCHEMBL1962623 0.74 L3MBTL1 (0.34) ALDH1A1MAPTLMNAMMP2ANPEP

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 769/4885MAPT 4347/4885LMNA 4695/4885

“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.