SCHEMBL2289183

SCHEMBL2289183

COc1cc(C)c(-c2nc3ccc(F)cn3c2Nc2c(C)cccc2C)c(OCC(N)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.42
GAA P10253 10/20 0.38
MAPT P10636 8/20 0.38
TP53 P04637 4/20 0.37
THRB P10828 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
POLB P06746 2/20 0.36
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
TRIM33 Q9UPN9 2/20 0.34
TRIM24 O15164 1/20 0.34

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
SCHEMBL2288415 0.97 TRPA1 (0.41) TRPA1GAAMAPTTP53THRB
SCHEMBL2292813 0.95 TRPA1 (0.42) TRPA1GAAMAPTTP53THRB
SCHEMBL2290253 0.95 TRPA1 (0.41) TRPA1GAAMAPTTP53THRB
SCHEMBL2294986 0.95 TRPA1 (0.40) TRPA1GAAMAPTTP53SMN1; SMN2
SCHEMBL2292370 0.94 TRPA1 (0.42) TRPA1GAAMAPTTP53ALDH1A1
SCHEMBL2287359 0.94 TRPA1 (0.39) TRPA1GAAMAPTTP53SMN1; SMN2
SCHEMBL2292058 0.94 TRPA1 (0.39) TRPA1GAAMAPTTP53THRB
SCHEMBL2288708 0.93 TRPA1 (0.39) TRPA1GAAMAPTTP53THRB
SCHEMBL2290769 0.93 TRPA1 (0.41) TRPA1GAAMAPTTP53CYP11B1
SCHEMBL2287599 0.93 GAA (0.41) TRPA1GAAMAPTTP53THRB

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 TRPA1 1229/4885GAA 1202/4885MAPT 1138/4885

“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.