SCHEMBL2402910

SCHEMBL2402910

CC(C)(C)OC(=O)NNC1(C(=S)OCc2ccccc2)CC1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.43
CTSL P07711 1/20 0.41
PPARA Q07869 1/20 0.41
KLK7 P49862 4/20 0.41
KLK5 Q9Y337 3/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
KDM1A O60341 2/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
IDO1 P14902 1/20 0.38
RCOR1 Q9UKL0 1/20 0.38
AKT1 P31749 2/20 0.37
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL2391971 0.77 SYK (0.46) SYKCTSLPPARAKLK7KLK5
SCHEMBL2394536 0.74 SYK (0.51) SYKCTSLPPARACA12CA1
SCHEMBL421286 0.73 SYK (0.61) SYKPPARACA12CA1CA7
SCHEMBL2394954 0.72 ALDH1A1 (0.43) SYKCTSLCA12CA1KDM1A
SCHEMBL32674368 0.72 SYK (0.46) SYKCTSLPPARAKLK7KLK5
SCHEMBL27231928 0.71 SYK (0.53) SYKCTSLPPARACA12CA1
SCHEMBL23460475 0.71 SYK (0.47) SYKCTSLPPARAKLK7KLK5
SCHEMBL12310649 0.70 CTSS (0.48) SYKCTSLPPARACA12CA1
SCHEMBL15591353 0.70 SYK (0.46) SYKCTSLPPARATSHRSMN1; SMN2
SCHEMBL12891885 0.70 SYK (0.47) SYKCTSLPPARAKLK7KLK5

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 3 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
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

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 SYK 678/4885CTSL 1057/4885PPARA 634/4885

“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.