SCHEMBL3370592

SCHEMBL3370592

COC[C@@H](NC(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.67
CA2 P00918 2/20 0.67
CA7 P43166 2/20 0.67
CYP2D6 P10635 1/20 0.47
CA4 P22748 1/20 0.46
CA9 Q16790 1/20 0.46
CTSK P43235 10/20 0.45
CTSS P25774 4/20 0.45
KLK5 Q9Y337 2/20 0.41
CTSL P07711 2/20 0.40
CTSB P07858 2/20 0.40
CA12 O43570 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL7420759 1.00 CA1 (0.67) CA1CA2CA7CYP2D6CA4
SCHEMBL18138345 0.88 CA1 (0.56) CA1CA2CA7CYP2D6CA4
SCHEMBL14923494 0.88 CA1 (0.56) CA1CA2CA7CYP2D6CA4
SCHEMBL89892 0.86 CA1 (0.63) CA1CA2CA7CYP2D6CA4
SCHEMBL90687 0.86 CA1 (0.63) CA1CA2CA7CYP2D6CA4
SCHEMBL23924815 0.86 CA1 (0.63) CA1CA2CA7CYP2D6CA4
SCHEMBL12396265 0.86 CA1 (0.67) CA1CA2CA7CYP2D6CA4
SCHEMBL903675 0.83 CA1 (0.43) CA1CA2CA7CA4CA9
SCHEMBL15371473 0.81 CA1 (0.51) CA1CA2CA7CYP2D6CA4
SCHEMBL1414602 0.81 CA1 (0.71) CA1CA2CA7CYP2D6CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 EP disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
WO-2012002577-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF 富士フイルム株式会社 (JP) 2012-01-05 WO disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 CA1 3203/4885CA2 2701/4885CA7 1873/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 CA1 3203/4885CA2 2701/4885CA7 1873/4885

“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.