SCHEMBL31043223

SCHEMBL31043223

C[C@H](NC(=O)[C@@H](N)CC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.40
▸ BACE1 P56817 7/20 0.38
▸ KIF11 P52732 6/20 0.36
▸ CTSD P07339 1/20 0.36
▸ REN P00797 1/20 0.36
▸ DNMT1 P26358 1/20 0.35

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
SCHEMBL31073617 0.86 PTPN1 (0.38) PTPN1BACE1KIF11CTSDREN
SCHEMBL30529860 0.85 PPARG (0.41) REN
SCHEMBL30163216 0.85 KIF11 (0.41) KIF11DNMT1
SCHEMBL31043231 0.84 REN (0.38) PTPN1BACE1REN
SCHEMBL29374163 0.84 PPARA (0.42) REN
SCHEMBL30529853 0.83 KIF11 (0.44) KIF11DNMT1
SCHEMBL30529852 0.83 KIF11 (0.44) KIF11DNMT1
SCHEMBL30815070 0.82 ACE (0.36) KIF11REN
SCHEMBL30814959 0.82 ACE (0.36) KIF11REN
SCHEMBL29755434 0.81 OPRD1 (0.40) PTPN1BACE1REN

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-20240319146-A1 ANALYSIS METHOD FOR PEPTIDE BOUND TO CARRIER FOR LIQUID PHASE PEPTIDE SYNTHESIS PEPTISTAR INC. (JP) 2024-09-26 — — 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-20240319146-A1 ANALYSIS METHOD FOR PEPTIDE BOUND TO CARRIER FOR LIQUID PHASE PEPTIDE SYNTHESIS HDGF, VIP, NPPA PTPN1 4090/4885BACE1 3899/4885KIF11 2812/4885

“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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