SCHEMBL2290879

SCHEMBL2290879

COc1cc(C)c(-c2nc3ccc(F)cn3c2Nc2c(C)cc(Cl)cc2C)c(OCC(N)=O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.38
GAA P10253 6/20 0.37
MAPT P10636 5/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
TP53 P04637 3/20 0.35
NR1H4 Q96RI1 1/20 0.35
LMNA P02545 2/20 0.35
GLA P06280 1/20 0.34
RAB9A P51151 1/20 0.34
TRIM33 Q9UPN9 2/20 0.34
GABRD O14764 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRA4 P48169 1/20 0.34
TRIM24 O15164 1/20 0.34
BRD4 O60885 1/20 0.34
CNR2 P34972 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
SCHEMBL2287359 0.95 TRPA1 (0.39) TRPA1GAAMAPTSMN1; SMN2KDM4E
SCHEMBL2289183 0.93 TRPA1 (0.42) TRPA1GAAMAPTSMN1; SMN2KDM4E
SCHEMBL2292332 0.92 TRPA1 (0.41) TRPA1GAAMAPTSMN1; SMN2KDM4E
SCHEMBL2293915 0.91 TRPA1 (0.40) TRPA1GAAMAPTSMN1; SMN2KDM4E
SCHEMBL2294986 0.91 TRPA1 (0.40) TRPA1GAAMAPTSMN1; SMN2CYP11B1
SCHEMBL2289540 0.91 TRPA1 (0.36) TRPA1GAAMAPTSMN1; SMN2KDM4E
SCHEMBL2292370 0.90 TRPA1 (0.42) TRPA1GAAMAPTALDH1A1CYP11B1
SCHEMBL2291060 0.90 TRPA1 (0.39) TRPA1GAAMAPTSMN1; SMN2KDM4E
SCHEMBL2293360 0.90 TRPA1 (0.36) TRPA1GAAMAPTSMN1; SMN2ALDH1A1
SCHEMBL2289770 0.90 GAA (0.40) TRPA1GAAMAPTSMN1; SMN2KDM4E

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.