SCHEMBL2289770

SCHEMBL2289770

COc1cc(C)c(-c2nc3ccc(F)cn3c2Nc2c(F)cccc2Cl)c(OCC(N)=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.40
TRPA1 O75762 1/20 0.39
FFAR1 O14842 1/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CDK4 P11802 1/20 0.34
CDK2 P24941 1/20 0.34
GLA P06280 1/20 0.34
RAB9A P51151 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
JAK1 P23458 3/20 0.34
JAK3 P52333 3/20 0.34
MAPT P10636 3/20 0.34
JAK2 O60674 2/20 0.34
TYK2 P29597 2/20 0.34
WEE1 P30291 1/20 0.33
CNR2 P34972 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL2292332 0.96 TRPA1 (0.41) GAATRPA1FFAR1LMNASMN1; SMN2
SCHEMBL2294986 0.95 TRPA1 (0.40) GAATRPA1LMNASMN1; SMN2GLA
SCHEMBL2292370 0.95 TRPA1 (0.42) GAATRPA1FFAR1CDK4CDK2
SCHEMBL2291825 0.91 TRPA1 (0.39) GAATRPA1FFAR1CDK4CDK2
SCHEMBL2289183 0.91 TRPA1 (0.42) GAATRPA1FFAR1SMN1; SMN2CYP11B1
SCHEMBL2290879 0.90 TRPA1 (0.38) GAATRPA1LMNASMN1; SMN2GLA
SCHEMBL2288216 0.90 TRPA1 (0.38) GAATRPA1FFAR1CDK4CDK2
SCHEMBL2288415 0.89 TRPA1 (0.41) GAATRPA1FFAR1SMN1; SMN2CYP11B1
SCHEMBL2293915 0.89 TRPA1 (0.40) GAATRPA1FFAR1LMNASMN1; SMN2
SCHEMBL2289540 0.89 TRPA1 (0.36) GAATRPA1LMNASMN1; SMN2GLA

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 GAA 1202/4885TRPA1 1229/4885FFAR1 172/4885

“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.