SCHEMBL11929776

SCHEMBL11929776

CN1CCCC/C=C\[C@@H]2C[C@@]2(C(=O)O)NC(=O)[C@@H]2C[C@@H](O)CC[C@H]2C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.44
▸ CTSS P25774 1/20 0.39
▸ ADRB3 P13945 1/20 0.31
▸ ADRA2B P18089 1/20 0.31
▸ ADRA2C P18825 1/20 0.31
▸ PSMB11 A5LHX3 1/20 0.30
▸ PSMA7 O14818 1/20 0.30
▸ PSMB1 P20618 1/20 0.30
▸ PSMA1 P25786 1/20 0.30
▸ PSMA2 P25787 1/20 0.30
▸ PSMA3 P25788 1/20 0.30
▸ PSMA4 P25789 1/20 0.30
▸ PSMB8 P28062 1/20 0.30
▸ PSMB9 P28065 1/20 0.30
▸ PSMA5 P28066 1/20 0.30
▸ PSMB4 P28070 1/20 0.30
▸ PSMB6 P28072 1/20 0.30
▸ PSMB5 P28074 1/20 0.30
▸ PSMB10 P40306 1/20 0.30
▸ PSMB3 P49720 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
SCHEMBL15159923 0.93 CTSB (0.44) CTSBCTSS
SCHEMBL6844970 0.90 CTSB (0.46) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL11929778 0.90 CTSB (0.46) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL1927692 0.90 CTSB (0.46) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL12040461 0.89 CTSB (0.42) CTSBCTSSPSMB11PSMA7PSMB1
SCHEMBL8286269 0.89 CTSB (0.42) CTSBCTSSPSMB11PSMA7PSMB1
SCHEMBL12023453 0.89 CTSB (0.42) CTSBCTSSPSMB11PSMA7PSMB1
SCHEMBL11930639 0.85 CTSB (0.58) CTSBCTSS
SCHEMBL2843883 0.84 CTSB (0.42) CTSBCTSS
SCHEMBL11929779 0.84 CTSB (0.48) 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 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 48/4885CTSS 35/4885ADRB3 4382/4885

“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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