SCHEMBL313082

SCHEMBL313082

CC(C)(C)OC(=O)NS(=O)(=O)C1(OCc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA7 P43166 1/20 0.54
CA14 Q9ULX7 1/20 0.54
AKT1 P31749 3/20 0.43
SYK P43405 1/20 0.42
PPARA Q07869 1/20 0.42
ATM Q13315 1/20 0.42
CTSS P25774 3/20 0.40
CTSL P07711 3/20 0.40
STS P08842 1/20 0.40
CTSB P07858 2/20 0.40
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
BCL2 P10415 1/20 0.39
IDO1 P14902 1/20 0.39
NPFFR1 Q9GZQ6 1/20 0.39
NPFFR2 Q9Y5X5 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
SCHEMBL4187556 0.85 CA12 (0.43) CA12CA1CA7CA14SYK
SCHEMBL8011499 0.81 CA12 (0.52) CA12CA1CA7CA14AKT1
SCHEMBL31407962 0.77 CA12 (0.48) CA12CA1CA7CA14SYK
SCHEMBL25347291 0.75 CA12 (0.46) CA12CA1CA7CA14SYK
SCHEMBL4187558 0.75 CA12 (0.48) CA12CA1CA7CA14AKT1
SCHEMBL6494733 0.74 CA1 (0.67) CA12CA1CA7CA14AKT1
SCHEMBL28827505 0.73 CA12 (0.45) CA12CA1CA7CA14CA2
SCHEMBL421286 0.72 SYK (0.61) CA12CA1CA7CA14AKT1
SCHEMBL13940771 0.71 CA12 (0.59) CA12CA1CA7CA14AKT1
SCHEMBL14979842 0.71 CA1 (0.52) CA12CA1CA7CA14SYK

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-2250174-B1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS INC (US) 2013-08-28 EP disclosed
US-8093379-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2012-01-10 US disclosed
US-8003659-B2 Macrocyclic serine protease inhibitors INDENIX PHARMACEUTICALS, INC. (US) 2011-08-23 US disclosed
EP-2250174-A2 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2010-11-17 EP disclosed
US-20100016578-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-01-21 US disclosed
WO-2009099596-A2 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARAMACEUTICALS, INC. (US) 2009-08-13 WO disclosed
US-20090202480-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2009-08-13 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 (2 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-20090202480-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 CA12 3795/4885CA1 3949/4885CA7 4452/4885
US-20100016578-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 CA12 3795/4885CA1 3949/4885CA7 4452/4885

“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.