SCHEMBL13245697

SCHEMBL13245697

BC(=O)N[C@@H](CCC)C(O)C(=O)N(C)OC

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
FAAH O00519 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
SCHEMBL8354221 0.80 JAK3 (0.43)
SCHEMBL13245691 0.75 CHRM1 (0.40) FAAH
SCHEMBL13707807 0.75 CHRM1 (0.40) FAAH
SCHEMBL14562862 0.72 FAAH (0.33) FAAH
SCHEMBL13245687 0.72 HDAC7 (0.31)
SCHEMBL13033873 0.69 ALDH1A1 (0.37) TAS1R3TAS1R1FAAH
SCHEMBL4783334 0.68 JAK3 (0.39) TAS1R3TAS1R1FAAH
SCHEMBL329020 0.68 JAK3 (0.39) TAS1R3TAS1R1FAAH
SCHEMBL12416446 0.68 FAAH (0.40) FAAH
SCHEMBL14962839 0.68 FAAH (0.40) FAAH

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
US-20100173851-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2010-07-08 US disclosed
US-20070292933-A1 Inhibitors of serine proteases, particular HCV NS3-NS4A protease PITLIK JANOS 2007-12-20 US disclosed
US-7273885-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-09-25 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-20070292933-A1 Inhibitors of serine proteases, particular HCV NS3-NS4A protease SERPINB1, PRSS1, SPINT2 TAS1R3 4194/4885TAS1R1 4104/4885FAAH 1352/4885
US-20100173851-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE SERPINB1, PRSS1, SPINT2 TAS1R3 4129/4885TAS1R1 4020/4885FAAH 1356/4885

“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.