SCHEMBL2394536

SCHEMBL2394536

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.47
CTSL P07711 2/20 0.46
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
LMNA P02545 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MAPT P10636 1/20 0.43
PPARA Q07869 1/20 0.43
ALDH1A1 P00352 1/20 0.42
IDO1 P14902 1/20 0.42
AKT1 P31749 2/20 0.41
MEN1 O00255 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
SCHEMBL2391971 0.90 SYK (0.46) SYKSMN1; SMN2CTSLCTSBCTSS
SCHEMBL27231928 0.84 SYK (0.53) SYKSMN1; SMN2CTSLCTSBCTSS
SCHEMBL31454371 0.84 SYK (0.53) SYKSMN1; SMN2CTSLCTSBCTSS
SCHEMBL15988457 0.84 CTSL (0.49) SMN1; SMN2CTSLCTSBCTSSCA12
SCHEMBL2394448 0.82 CTSS (0.56) SYKSMN1; SMN2CTSLCTSBCTSS
SCHEMBL421286 0.82 SYK (0.61) SYKSMN1; SMN2CA12CA1CA7
SCHEMBL10152374 0.81 SYK (0.48) SYKSMN1; SMN2CTSLCTSBCTSS
SCHEMBL14737847 0.81 SYK (0.56) SYKSMN1; SMN2CTSLCTSBCTSS
SCHEMBL12310649 0.81 CTSS (0.48) SYKSMN1; SMN2CTSLCTSBCTSS
SCHEMBL2394376 0.81 CTSS (0.53) SYKSMN1; SMN2CTSLCTSBCTSS

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 678/4885SMN1; SMN2 3828/4885CTSL 1057/4885

“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.