SCHEMBL2392378

SCHEMBL2392378

NC1(C(=O)O)CC1C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
FABP7 O15540 1/20 0.46
FABP5 Q01469 1/20 0.46
ALDH1A1 P00352 4/20 0.45
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
FKBP1A P62942 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP3A4 P08684 1/20 0.43
CASP1 P29466 1/20 0.43
BACE1 P56817 1/20 0.43
HTR2C P28335 1/20 0.43
LMNA P02545 1/20 0.42
CYP2C19 P33261 1/20 0.42
GRM6 O15303 1/20 0.42
GRM2 Q14416 1/20 0.41

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
SCHEMBL30852824 0.87 TSHR (0.45) TSHRFABP7FABP5ALDH1A1MAPK1
SCHEMBL8323846 0.85 TSHR (0.47) TSHRFABP7FABP5ALDH1A1MAPK1
SCHEMBL6380145 0.84 FKBP1A (0.47) TSHRFABP7FABP5ALDH1A1FKBP1A
SCHEMBL28345956 0.81 FABP7 (0.44) TSHRFABP7FABP5ALDH1A1MAPK1
SCHEMBL18656644 0.78 ALDH1A1 (0.51) TSHRFABP7FABP5ALDH1A1MAPK1
SCHEMBL8884918 0.77 FABP7 (0.42) TSHRFABP7FABP5ALDH1A1MAPK1
SCHEMBL32674110 0.77 ALDH1A1 (0.50) TSHRALDH1A1MAPK1L3MBTL1SLC6A2
SCHEMBL27660459 0.77 FABP7 (0.47) TSHRFABP7FABP5ALDH1A1MAPK1
SCHEMBL525667 0.76 FABP5 (0.51) TSHRFABP7FABP5KMT2A
SCHEMBL11214483 0.76 ALDH1A1 (0.49) TSHRFABP7FABP5ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2225238-B1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZOÝ1,2- ¨IMIDAZOLE-3- CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INT (DE) 2014-09-03 EP disclosed
CN-101889011-B Derivatives of 6,7-dihydro-5h-imidazo[1,2-a]imidazole-3- carboxylic acid amides BOEHRINGER INGELHEIM INT 2014-05-28 CN disclosed
US-8552205-B2 Derivatives of 6,7-dihydro-5H-imidazo[1,2-alpha]imidazole-3-carboxylic acid amides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-08 US disclosed
US-20110224188-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-alpha]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-15 US disclosed
CN-101889011-A Derivatives of 6,7-dihydro-5h-imidazo[1,2-a]imidazole-3- carboxylic acid amides BOEHRINGER INGELHEIM INT 2010-11-17 CN disclosed
EP-2225238-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZOÝ1,2- ¨IMIDAZOLE-3- CARBOXYLIC ACID AMIDES Boehringer Ingelheim International GmbH (DE) 2010-09-08 EP disclosed
WO-2009070485-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-α]IMIDAZOLE-3- CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 WO 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-20110224188-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-alpha]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES HPGDS, COL14A1, ARG1 TSHR 4087/4885FABP7 318/4885FABP5 336/4885

“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.