Sugi Predict

Sugi Predict / Compounds / SCHEMBL2289718

SCHEMBL2289718

SCHEMBL2289718

CCc1cc(OCC(O)CO)cc(OCC(N)=O)c1-c1nc2ccc(F)cn2c1Nc1c(C)cccc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 13/20 0.38
▸ MAPT P10636 10/20 0.38
▸ TRPA1 O75762 1/20 0.36
▸ TP53 P04637 7/20 0.34
▸ THRB P10828 1/20 0.34
▸ MAPK14 Q16539 2/20 0.33
▸ GAK O14976 1/20 0.33
▸ LCK P06239 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ MAPK9 P45984 1/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ EPHA5 P54756 1/20 0.33
▸ MAPK11 Q15759 1/20 0.33
▸ POLB P06746 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31

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
SCHEMBL2286034 0.94 TRPA1 (0.37) GAAMAPTTRPA1TP53THRB
SCHEMBL2287227 0.92 GAA (0.42) GAAMAPTTRPA1TP53THRB
SCHEMBL2288201 0.91 GAA (0.41) GAAMAPTTRPA1TP53THRB
SCHEMBL2291845 0.90 GAA (0.41) GAAMAPTTRPA1TP53THRB
SCHEMBL2287599 0.89 GAA (0.41) GAAMAPTTRPA1TP53THRB
SCHEMBL2289993 0.88 TRPA1 (0.40) GAAMAPTTRPA1TP53THRB
SCHEMBL2295061 0.86 MAPT (0.40) GAAMAPTTRPA1TP53THRB
SCHEMBL2287230 0.86 GAA (0.38) GAAMAPTTRPA1TP53THRB
SCHEMBL2287700 0.86 GAA (0.42) GAAMAPTTRPA1TP53THRB
SCHEMBL2290253 0.85 TRPA1 (0.41) GAAMAPTTRPA1TP53THRB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2032571-B1 3 -AMINO-IMIDAZO[1, 2-A]PYRIDINE DERIVATIVES AS SGLT INHIBITORS MERCK PATENT GMBH (DE) 2014-12-03 — — EP claimed
US-8258151-B2 3-aminoimidazo [1,2-A] pyridine derivatives as SGLT inhibitors MERCK PATENT GMBH (DE) 2012-09-04 — — US claimed
US-20110195991-A1 3-AMINOIMIDAZO [1,2-A] PYRIDINE DERIVATIVES AS SGLT INHIBITORS MERCK PATENT GESELLSCHAFT (DE) 2011-08-11 — — US claimed
EP-2032571-B1 3 -AMINO-IMIDAZO[1, 2-A]PYRIDINE DERIVATIVES AS SGLT INHIBITORS MERCK PATENT GMBH (DE) 2014-12-03 — — EP disclosed
US-8258151-B2 3-aminoimidazo [1,2-A] pyridine derivatives as SGLT inhibitors MERCK PATENT GMBH (DE) 2012-09-04 — — US disclosed
US-20110195991-A1 3-AMINOIMIDAZO [1,2-A] PYRIDINE DERIVATIVES AS SGLT INHIBITORS MERCK PATENT GESELLSCHAFT (DE) 2011-08-11 — — 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-20110195991-A1 3-AMINOIMIDAZO [1,2-A] PYRIDINE DERIVATIVES AS SGLT INHIBITORS GLP1R, SLC5A1, SLC5A2 GAA 1202/4885MAPT 1138/4885TRPA1 1229/4885

“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.