SCHEMBL8091797

SCHEMBL8091797

C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1C(=O)N[C@]1(C(=O)OCC)C[C@H]1C=C

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.39
TLR2 O60603 1/20 0.38
TLR1 Q15399 1/20 0.38
TGM2 P21980 1/20 0.35
MDM2 Q00987 1/20 0.35
BACE1 P56817 1/20 0.35

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
SCHEMBL8093393 0.86 MEN1 (0.38) BACE1
SCHEMBL13564323 0.82 ITGB3 (0.39)
SCHEMBL7931773 0.82 ITGB3 (0.39)
SCHEMBL3432095 0.81 HDAC1 (0.37) TGM2
SCHEMBL8279873 0.79 CYP3A4 (0.39) TGM2
SCHEMBL8203154 0.79 HDAC1 (0.37) TGM2
SCHEMBL15747003 0.79 HDAC1 (0.39)
SCHEMBL13610589 0.79 HDAC1 (0.37)
SCHEMBL1943013 0.79 HDAC1 (0.39)
SCHEMBL8026867 0.79 HDAC1 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080286233-A1 PIPERIZINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-11-20 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-20080286233-A1 PIPERIZINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, HPN, PREP PRCP 37/4885TLR2 2377/4885TLR1 1327/4885

“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.