SCHEMBL14930706

SCHEMBL14930706

COC(=O)N[C@@H](CSC)C(=O)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 2/20 0.35
▸ CTSK P43235 2/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ MAPK1 P28482 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ PPARG P37231 2/20 0.31
▸ PPARA Q07869 2/20 0.31
▸ USP2 O75604 1/20 0.30

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
SCHEMBL18930558 0.84 CTSS (0.48) CTSSCTSKCYP2C9HTTMAPK1
SCHEMBL23143030 0.81 MAPT (0.39) GAA
SCHEMBL8906540 0.81 CTSK (0.41) CTSSCTSKCYP1A2CYP2C9CYP2C19
SCHEMBL19318522 0.81 TGFBR1 (0.40) CTSSCTSK
SCHEMBL8906526 0.81 CTSK (0.41) CTSSCTSKCYP1A2CYP2C9CYP2C19
SCHEMBL13223941 0.81 TGFBR1 (0.40) CTSSCTSK
SCHEMBL13223900 0.81 TGFBR1 (0.40) CTSSCTSK
SCHEMBL19318525 0.79 CTSS (0.34) CTSSCTSK
SCHEMBL8906249 0.79 CTSS (0.34) CTSSCTSK
SCHEMBL14932838 0.79 GAA (0.33) CTSSCTSKCYP1A2CYP2C9CYP2C19

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 2116/4885CYP1A2 275/4885
US-20160038483-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, HDGF CTSS 917/4885CTSK 2116/4885CYP1A2 275/4885

“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.

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