SCHEMBL13635818

SCHEMBL13635818

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

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.57
CTSS P25774 3/20 0.57
CA2 P00918 2/20 0.53
CA1 P00915 1/20 0.53
CA7 P43166 1/20 0.53
PREP P48147 1/20 0.49
TRPA1 O75762 2/20 0.48
CTSL P07711 2/20 0.48
CTSB P07858 2/20 0.48
CYP2D6 P10635 1/20 0.47
PSENEN Q9NZ42 1/20 0.40
ELANE P08246 1/20 0.40

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
SCHEMBL13602872 1.00 CTSK (0.57) CTSKCTSSCA2CA1CA7
SCHEMBL12730505 1.00 CTSK (0.57) CTSKCTSSCA2CA1CA7
SCHEMBL23100865 0.86 CTSK (0.47) CTSKCTSSCA2CA1CA7
SCHEMBL3053058 0.85 CTSK (0.55) CTSKCTSSCA2CA1CA7
SCHEMBL13413258 0.85 CTSK (0.51) CTSKCTSSCA2CA1CA7
SCHEMBL467994 0.84 CTSK (0.61) CTSKCTSSCA2CA1CA7
SCHEMBL59323 0.84 CTSK (0.61) CTSKCTSSCA2CA1CA7
SCHEMBL23260554 0.84 CTSK (0.57) CTSKCTSSCA2CA1CA7
SCHEMBL256794 0.84 CTSK (0.61) CTSKCTSSCA2CA1CA7
SCHEMBL10192146 0.84 CTSK (0.57) CTSKCTSSCA2CA1CA7

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
US-8846023-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-30 US disclosed
US-8574563-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-05 US disclosed
US-20130004457-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2013-01-03 US disclosed
US-8303944-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US disclosed
US-8303944-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US disclosed
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-12 US disclosed
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-12 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-20090068140-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS CTSK 789/4885CTSS 864/4885CA2 4556/4885
US-20130004457-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CTSK 789/4885CTSS 864/4885CA2 4556/4885

“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.