SCHEMBL11905167

SCHEMBL11905167

COC(=O)[C@H]1CCC=CCCCCN(C)C(=O)[C@@H]2CC[C@@H](OS(=O)(=O)c3ccc(Br)cc3)C[C@H]2C(=O)N1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.32
▸ SLC6A2 P23975 3/20 0.32
▸ SLC6A4 P31645 3/20 0.32
▸ SLC6A3 Q01959 3/20 0.32
▸ F10 P00742 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP2D6 P10635 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
SCHEMBL12470399 1.00 CTSB (0.32) CTSBSLC6A2SLC6A4SLC6A3F10
SCHEMBL6844968 0.80 CTSB (0.45) CTSBALDH1A1
SCHEMBL1926348 0.80 CTSB (0.45) CTSBALDH1A1
SCHEMBL11904963 0.80 CTSB (0.31) CTSB
SCHEMBL12470651 0.80 CTSB (0.31) CTSB
SCHEMBL3045938 0.71 CTSB (0.42) CTSBALDH1A1
SCHEMBL13248869 0.71 CTSB (0.42) CTSBALDH1A1
SCHEMBL3045942 0.71 CTSB (0.42) CTSBALDH1A1
SCHEMBL19650262 0.65 CA1 (0.36) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL8141788 0.65 CA1 (0.36) SLC6A2SLC6A4SLC6A3CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353100-B2 Macrocyclic serine protease inhibitors, pharmaceutical compositions thereof, and their use for treating HCV infections IDENIX PHARMACEUTICALS LLC (US) 2016-05-31 — — US disclosed
US-20120207703-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE FOR TREATING HCV INFECTIONS IDENIX PHARMACEUTICALS, INC. (US) 2012-08-16 — — 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 (1 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-20120207703-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE FOR TREATING HCV INFECTIONS PRSS1, SERPINB1, SPINT2 CTSB 48/4885SLC6A2 4695/4885SLC6A4 4567/4885

“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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