SCHEMBL2649577

SCHEMBL2649577

Cc1cc(COc2cc(OCc3ccccc3F)c(C)c(C(=O)O)c2)no1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 2/20 0.44
PARP10 Q53GL7 2/20 0.44
MAOB P27338 2/20 0.41
GCK P35557 2/20 0.41
RARA P10276 1/20 0.41
RARB P10826 1/20 0.41
RARG P13631 1/20 0.41
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
KDM5A P29375 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
CLCN2 P51788 1/20 0.39
PTGER1 P34995 2/20 0.39
PARP14 Q460N5 1/20 0.38
ALKBH1 Q13686 1/20 0.38
MET P08581 1/20 0.38
GAA P10253 1/20 0.38
GFER P55789 1/20 0.38
SGMS2 Q8NHU3 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
SCHEMBL2649575 0.78 GCK (0.46) PARP15PARP10MAOBGCKRARA
SCHEMBL2651135 0.72 MAOB (0.41) PARP15PARP10MAOBGCKRARA
SCHEMBL16404617 0.70 TDP1 (0.54) ACACB
SCHEMBL2666464 0.70 GCK (0.38) PARP15PARP10MAOBGCKRARA
SCHEMBL5419201 0.69 GCK (0.68) GCKRARARARBRARG
SCHEMBL10397561 0.69 MAOB (0.60) PARP15PARP10MAOBGCKRARA
SCHEMBL2451525 0.68 ALDH1A1 (0.68) PARP15PARP10MAOBCLCN2PARP14
SCHEMBL1261569 0.68 MAOB (0.52) MAOB
SCHEMBL1654034 0.67 GCK (0.66) PARP15PARP10MAOBGCKRARA
SCHEMBL17616648 0.66 MRGPRX4 (0.54) CLCN2PTGER1TP53

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
US-20070112040-A1 Amino nicotinate derivatives as glucokinase (GLK) modulators ASTRAZENECA AB 2007-05-17 US disclosed
US-20040214868-A1 Amino nicotinate derivatives as glucokinase (GLK) modulators ASTRAZENECA AB (SE) 2004-10-28 US disclosed
EP-1404335-A1 AMINO NICOTINATE DERIVATIVES AS GLUCOKINASE (GLK) MODULATORS Astrazeneca AB (SE) 2004-04-07 EP disclosed
WO-2003000267-A1 AMINO NICOTINATE DERIVATIVES AS GLUCOKINASE (GLK) MODULATORS ASTRAZENECA AB (SE) 2003-01-03 WO 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 (2 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-20070112040-A1 Amino nicotinate derivatives as glucokinase (GLK) modulators GCK, GCKR, NADK PARP15 2787/4885PARP10 2752/4885MAOB 1111/4885
US-20040214868-A1 Amino nicotinate derivatives as glucokinase (GLK) modulators GCK, GCKR, NADK PARP15 3001/4885PARP10 2868/4885MAOB 1550/4885

“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.