SCHEMBL1926348

SCHEMBL1926348

COC(=O)[C@@]12C[C@H]1C=CCCCCN(C)C(=O)[C@@H]1CC[C@@H](OS(=O)(=O)c3ccc(Br)cc3)C[C@H]1C(=O)N2

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.45
▸ CTSS P25774 1/20 0.41
▸ ALDH1A1 P00352 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
SCHEMBL6844968 1.00 CTSB (0.45) CTSBCTSSALDH1A1
SCHEMBL13248869 0.88 CTSB (0.42) CTSBCTSSALDH1A1
SCHEMBL3045938 0.88 CTSB (0.42) CTSBCTSSALDH1A1
SCHEMBL3045942 0.88 CTSB (0.42) CTSBCTSSALDH1A1
SCHEMBL6844970 0.81 CTSB (0.46) CTSBCTSS
SCHEMBL11929778 0.81 CTSB (0.46) CTSBCTSS
SCHEMBL1927692 0.81 CTSB (0.46) CTSBCTSS
SCHEMBL11905167 0.80 CTSB (0.32) CTSBALDH1A1
SCHEMBL12470399 0.80 CTSB (0.32) CTSBALDH1A1
SCHEMBL17574493 0.78 CTSB (0.47) CTSBCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2461811-B1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS LLC (US) 2016-04-20 — — EP disclosed
US-9284307-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS LLC (US) 2016-03-15 — — US disclosed
US-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-02 — — 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-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 CTSB 39/4885CTSS 45/4885ALDH1A1 1913/4885

“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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