SCHEMBL19089931

SCHEMBL19089931

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

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSENEN Q9NZ42 1/20 0.58
CTSK P43235 3/20 0.56
CTSS P25774 2/20 0.56
CA12 O43570 1/20 0.49
CA14 Q9ULX7 1/20 0.49
CA2 P00918 2/20 0.45
CA1 P00915 1/20 0.45
CA7 P43166 1/20 0.45
PREP P48147 1/20 0.43
TRPA1 O75762 1/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
KLK5 Q9Y337 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL10175868 1.00 PSENEN (0.58) PSENENCTSKCTSSCA12CA14
SCHEMBL16667761 1.00 PSENEN (0.58) PSENENCTSKCTSSCA12CA14
SCHEMBL23332548 0.92 CTSK (0.57) PSENENCTSKCTSSCA2CA1
SCHEMBL30065360 0.92 CTSK (0.57) PSENENCTSKCTSSCA2CA1
SCHEMBL2548149 0.89 PSENEN (0.59) PSENENCTSKCTSSCA2CA1
SCHEMBL7104010 0.89 PSENEN (0.59) PSENENCTSKCTSSCA2CA1
SCHEMBL17137934 0.89 PSENEN (0.59) PSENENCTSKCTSSCA2CA1
SCHEMBL18562066 0.85 CTSK (0.61) PSENENCTSKCTSSCA2CA1
SCHEMBL17596020 0.85 CTSK (0.61) PSENENCTSKCTSSCA2CA1
SCHEMBL25015110 0.85 CTSK (0.61) PSENENCTSKCTSSCA2CA1

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-RE47334-E1 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2019-04-02 US disclosed
US-10246486-B2 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2019-04-02 US disclosed
US-9873716-B2 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2018-01-23 US disclosed
US-20170190737-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES CYPRALIS LIMITED (GB) 2017-07-06 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-20170190737-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, ZC3HAV1, HCCS PSENEN 3107/4885CTSK 1762/4885CTSS 1084/4885
US-10246486-B2 Macrocyclic inhibitors of flaviviridae viruses HAVCR2, ZC3HAV1, HCCS PSENEN 3107/4885CTSK 1762/4885CTSS 1084/4885

“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.