SCHEMBL24485295

SCHEMBL24485295

CC(C)C[C@H](NC(=O)[C@@H](N)CS)C(=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(=N)N)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GRB2 P62993 1/20 0.47
▸ NMUR2 Q9GZQ4 2/20 0.43
▸ NMUR1 Q9HB89 2/20 0.43
▸ PLK1 P53350 1/20 0.43
▸ NTSR2 O95665 3/20 0.42
▸ NTSR1 P30989 3/20 0.42
▸ CAPN1 P07384 4/20 0.41
▸ MMP1 P03956 1/20 0.41
▸ MMP3 P08254 1/20 0.41
▸ SORT1 Q99523 1/20 0.41
▸ MAPK8 P45983 1/20 0.40
▸ MAPK9 P45984 1/20 0.40
▸ MAPK10 P53779 1/20 0.40
▸ OPRM1 P35372 2/20 0.40
▸ OPRK1 P41145 2/20 0.40
▸ RAMP3 O60896 3/20 0.39
▸ CALCR P30988 3/20 0.39

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
SCHEMBL24485294 1.00 GRB2 (0.47) GRB2NMUR2NMUR1PLK1NTSR2
SCHEMBL29629002 0.92 GRB2 (0.50) GRB2NMUR2NMUR1PLK1NTSR2
SCHEMBL30962076 0.88 GRB2 (0.50) GRB2NMUR2NMUR1NTSR2NTSR1
SCHEMBL30010846 0.86 NMUR2 (0.54) NMUR2NMUR1CAPN1RAMP3CALCR
SCHEMBL24485494 0.84 GRB2 (0.49) GRB2NMUR2NMUR1MAPK8MAPK9
SCHEMBL29701311 0.83 OPRM1 (0.46) GRB2NMUR2NMUR1PLK1NTSR2
SCHEMBL29379382 0.83 NTSR2 (0.48) NMUR2NMUR1PLK1NTSR2NTSR1
SCHEMBL29608389 0.83 OPRM1 (0.51) GRB2NMUR2NMUR1PLK1NTSR2
SCHEMBL31106416 0.82 NTSR2 (0.49) GRB2NTSR2NTSR1CAPN1SORT1
SCHEMBL30133583 0.82 GRB2 (0.47) GRB2NMUR2NMUR1NTSR2NTSR1

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-20220169677-A1 NRP-1 BINDING INHIBITORY PEPTIDES AND USES THEREOF UNIVERSITÉ PARIS CITÉ (FR) 2022-06-02 — — 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-20220169677-A1 NRP-1 BINDING INHIBITORY PEPTIDES AND USES THEREOF NRP1, KDR, FLT1 GRB2 552/4885NMUR2 482/4885NMUR1 197/4885

“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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