SCHEMBL2391971

SCHEMBL2391971

CC(C)(C)OC(=O)NNC1(NC(=S)OCc2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.46
CTSL P07711 2/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
PPARA Q07869 1/20 0.41
IDO1 P14902 1/20 0.40
AKT1 P31749 2/20 0.40
CTSS P25774 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CTSB P07858 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.39
GAA P10253 2/20 0.39
KLK7 P49862 1/20 0.39
KLK5 Q9Y337 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL2394536 0.90 SYK (0.51) SYKCTSLCA12CA1CA7
SCHEMBL3654732 0.84 ALDH1A1 (0.42) CTSLCA12CA1CTSSSMN1; SMN2
SCHEMBL12310649 0.79 CTSS (0.48) SYKCTSLCA12CA1CA7
SCHEMBL31454371 0.77 SYK (0.53) SYKCTSLCA12CA1CA7
SCHEMBL27231928 0.77 SYK (0.53) SYKCTSLCA12CA1CA7
SCHEMBL421286 0.77 SYK (0.61) SYKCA12CA1CA7CA14
SCHEMBL2402910 0.77 SYK (0.43) SYKCTSLCA12CA1CA7
SCHEMBL2535173 0.76 SYK (0.49) SYKCTSLCA12CA1CA7
SCHEMBL2394448 0.76 CTSS (0.56) SYKCTSLCA12CA1CA7
SCHEMBL15261788 0.76 CA12 (0.46) SYKCTSLCA12CA1CA7

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 5 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
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 SYK 678/4885CTSL 1057/4885CA12 1545/4885

“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.