SCHEMBL30524410

SCHEMBL30524410

CC[C@@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)C(CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)N1CCCC1C(=O)N[C@H](CCCCN)C(=O)N[C@H](C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CS)C(=O)N[C@H](C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CS)C(=O)O)[C@H](C)CC

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 3/20 0.59
▸ CXCR4 P61073 3/20 0.58
▸ APLNR P35414 1/20 0.58
▸ MAPK8 P45983 1/20 0.58
▸ MAPK9 P45984 1/20 0.58
▸ MAPK10 P53779 1/20 0.58
▸ OPRD1 P41143 4/20 0.57
▸ NPY1R P25929 1/20 0.53
▸ NPY2R P49146 1/20 0.53
▸ NPY4R P50391 1/20 0.53
▸ NPY5R Q15761 1/20 0.53
▸ OPRM1 P35372 1/20 0.53
▸ OPRK1 P41145 1/20 0.53

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
SCHEMBL29706261 0.90 MAPK8 (0.64) CALCRCXCR4MAPK8MAPK9MAPK10
SCHEMBL31182467 0.88 CALCR (0.73) CALCRCXCR4APLNR
SCHEMBL29416036 0.88 MAPK8 (0.63) CALCRCXCR4MAPK8MAPK9MAPK10
SCHEMBL30646299 0.88 MAPK8 (0.63) CALCRCXCR4MAPK8MAPK9MAPK10
SCHEMBL30294080 0.88 OPRD1 (0.60) MAPK8MAPK9MAPK10OPRD1NPY1R
SCHEMBL29649207 0.88 MAPK8 (0.58) CALCRMAPK8MAPK9MAPK10OPRD1
SCHEMBL30668489 0.87 CALCR (0.63) CALCRCXCR4APLNRMAPK8MAPK9
SCHEMBL31571358 0.87 MAPK8 (0.57) CALCRCXCR4APLNRMAPK8MAPK9
SCHEMBL30304242 0.87 OPRD1 (0.60) CALCROPRD1OPRM1OPRK1
SCHEMBL30567771 0.87 CALCR (0.64) CALCRCXCR4APLNROPRD1

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-20240238459-A1 Granzyme-Activatable Membrane-Interacting Peptides and Methods of Use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2024-07-18 — — US disclosed
WO-2023141679-A1 DIMERS AND USES THEREFOR THE FLOREY INSTITUTE OF NEUROSCIENCE AND MENTAL HEALTH (AU) 2023-08-03 — — WO 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-20240238459-A1 Granzyme-Activatable Membrane-Interacting Peptides and Methods of Use GZMB, PRF1, PLA2G2A CALCR 1976/4885CXCR4 824/4885APLNR 1041/4885

“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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