SCHEMBL13201568

SCHEMBL13201568

CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](C=O)CC=O)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.52
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
PGGT1B P53609 1/20 0.43
AGTR1 P30556 2/20 0.43
AGTR2 P50052 2/20 0.43
NMUR2 Q9GZQ4 1/20 0.42
NMUR1 Q9HB89 1/20 0.42

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
SCHEMBL27492383 0.92 OPRD1 (0.53) OPRD1FNTAFNTBPGGT1BAGTR1
SCHEMBL12914544 0.92 OPRD1 (0.53) OPRD1FNTAFNTBPGGT1BAGTR1
SCHEMBL952096 0.85 OPRD1 (0.56) OPRD1FNTAFNTBPGGT1BAGTR1
SCHEMBL646710 0.76 SLC6A2 (0.54) AGTR1AGTR2NMUR2NMUR1
SCHEMBL12914542 0.76 CASP1 (0.48)
SCHEMBL949169 0.76 CASP1 (0.48)
SCHEMBL12914540 0.76 SLC6A2 (0.54) AGTR1AGTR2NMUR2NMUR1
SCHEMBL14369994 0.76 OPRM1 (0.45)
SCHEMBL12914510 0.76 OPRM1 (0.45)
SCHEMBL14369995 0.76 OPRM1 (0.47)

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-7772366-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-10 US disclosed
US-20080070953-A1 Inhibitors of interleukin-1 beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 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-20080070953-A1 Inhibitors of interleukin-1 beta converting enzyme IL1B, IL1A, IL1R1 OPRD1 3475/4885FNTA 1710/4885FNTB 2488/4885

“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.