Sugi Predict

Sugi Predict / Compounds / SCHEMBL2632729

SCHEMBL2632729

SCHEMBL2632729

CC(C)C[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 13/20 0.67
▸ NMUR1 Q9HB89 12/20 0.67
▸ OPRM1 P35372 6/20 0.58
▸ OPRK1 P41145 6/20 0.58

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
SCHEMBL2632668 0.93 NMUR2 (0.73) NMUR2NMUR1OPRM1OPRK1
SCHEMBL8808113 0.88 NMUR2 (0.70) NMUR2NMUR1OPRM1OPRK1
SCHEMBL8808129 0.88 NMUR2 (0.70) NMUR2NMUR1OPRM1OPRK1
SCHEMBL2632647 0.86 NMUR2 (0.84) NMUR2NMUR1
SCHEMBL17226129 0.85 NMUR2 (0.62) NMUR2NMUR1OPRM1OPRK1
SCHEMBL9629910 0.84 NMUR2 (0.63) NMUR2NMUR1
SCHEMBL5498560 0.84 NMUR2 (0.65) NMUR2NMUR1
SCHEMBL17226126 0.84 NMUR2 (0.62) NMUR2NMUR1
SCHEMBL30168766 0.83 NMUR2 (0.68) NMUR2NMUR1
SCHEMBL17226105 0.82 NMUR2 (0.59) NMUR2NMUR1OPRM1OPRK1

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
WO-2012050227-A1 PEPTIDE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 — — WO disclosed
US-20120094898-A1 PEPTIDE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 — — 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-20120094898-A1 PEPTIDE DERIVATIVE NPPA, LNPEP, NGLY1 NMUR2 223/4885NMUR1 200/4885OPRM1 1234/4885

“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.