SCHEMBL2288415

SCHEMBL2288415

COc1cc(C)c(-c2nc3ccc(F)cn3c2Nc2c(C)cccc2OC)c(OCC(N)=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.41
GAA P10253 7/20 0.37
MAPT P10636 5/20 0.37
TP53 P04637 2/20 0.37
POLB P06746 1/20 0.37
THRB P10828 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
FFAR1 O14842 1/20 0.34
CHRNA7 P36544 1/20 0.34
NR1H4 Q96RI1 2/20 0.34
TRIM33 Q9UPN9 2/20 0.34
TRIM24 O15164 1/20 0.34
ATM Q13315 1/20 0.33
ALOX5 P09917 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL2289183 0.97 TRPA1 (0.42) TRPA1GAAMAPTTP53POLB
SCHEMBL2292813 0.94 TRPA1 (0.42) TRPA1GAAMAPTTP53POLB
SCHEMBL2294986 0.93 TRPA1 (0.40) TRPA1GAAMAPTTP53POLB
SCHEMBL2295061 0.93 MAPT (0.40) TRPA1GAAMAPTTP53POLB
SCHEMBL2292370 0.93 TRPA1 (0.42) TRPA1GAAMAPTTP53POLB
SCHEMBL2292058 0.92 TRPA1 (0.39) TRPA1GAAMAPTTP53POLB
SCHEMBL2290253 0.92 TRPA1 (0.41) TRPA1GAAMAPTTP53POLB
SCHEMBL2288708 0.92 TRPA1 (0.39) TRPA1GAAMAPTTP53POLB
SCHEMBL2290769 0.91 TRPA1 (0.41) TRPA1GAAMAPTTP53POLB
SCHEMBL2292332 0.91 TRPA1 (0.41) TRPA1GAAMAPTTP53POLB

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-2032571-B1 3 -AMINO-IMIDAZO[1, 2-A]PYRIDINE DERIVATIVES AS SGLT INHIBITORS MERCK PATENT GMBH (DE) 2014-12-03 EP 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.