SCHEMBL14930616

SCHEMBL14930616

COC(=O)NC(CC1CCOCC1)C(=O)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.40
CTSK P43235 5/20 0.40
USP30 Q70CQ3 1/20 0.39
AAK1 Q2M2I8 2/20 0.37
CTSL P07711 6/20 0.35
GCK P35557 2/20 0.35
CNR2 P34972 5/20 0.34
CNR1 P21554 4/20 0.34
CTSB P07858 1/20 0.33
CTSH P09668 1/20 0.33

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
SCHEMBL8749676 0.84 GRN (0.40) CTSSCTSKUSP30CTSLCTSB
SCHEMBL6121423 0.84 GRN (0.40) CTSSCTSKUSP30CTSLCTSB
SCHEMBL6120738 0.84 CNR2 (0.38) CTSSCTSKUSP30AAK1CTSL
SCHEMBL8749679 0.84 CNR2 (0.38) CTSSCTSKUSP30AAK1CTSL
SCHEMBL20218495 0.84 CTSS (0.37) CTSSCTSKUSP30AAK1CTSL
SCHEMBL16800 0.78 CTSK (0.53) CTSSCTSKAAK1CTSL
SCHEMBL2199576 0.78 CTSK (0.53) CTSSCTSKAAK1CTSL
SCHEMBL2199572 0.78 CTSK (0.53) CTSSCTSKAAK1CTSL
SCHEMBL16774 0.76 CTSS (0.57) CTSSCTSKAAK1CTSLCTSB
SCHEMBL16773 0.76 CTSS (0.57) CTSSCTSKAAK1CTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9669027-B2 Hepatitis C virus inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-06-06 US disclosed
US-20160038483-A1 HEPATITIS C VIRUS INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-02-11 US disclosed
US-9212168-B2 Hepatitis C virus inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-12-15 US disclosed
US-20130115194-A1 HEPATITIS C VIRUS INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC 2013-05-09 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-20130115194-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, HDGF CTSS 917/4885CTSK 2116/4885USP30 2866/4885
US-20160038483-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, HDGF CTSS 917/4885CTSK 2116/4885USP30 2866/4885

“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.