SCHEMBL27429284

SCHEMBL27429284

CC(C)C[C@H](NC(=O)[C@@H](N)CC(N)=O)C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 3/20 0.45
▸ PTPN1 P18031 2/20 0.40
▸ ERAP2 Q6P179 1/20 0.40
▸ ERAP1 Q9NZ08 1/20 0.40
▸ LNPEP Q9UIQ6 1/20 0.40
▸ MMP1 P03956 1/20 0.39
▸ FCER2 P06734 1/20 0.39
▸ MMP8 P22894 3/20 0.39
▸ MMP2 P08253 2/20 0.39
▸ MMP9 P14780 2/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ SLC7A5 Q01650 1/20 0.38
▸ DPP4 P27487 1/20 0.38
▸ DPP8 Q6V1X1 1/20 0.38
▸ DPP9 Q86TI2 1/20 0.38
▸ HPGDS O60760 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ NPY4R P50391 3/20 0.38

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
SCHEMBL27429298 1.00 ECE1 (0.45) ECE1PTPN1ERAP2ERAP1LNPEP
SCHEMBL13096227 0.92 ECE1 (0.41) ECE1MMP1FCER2MMP8MMP2
SCHEMBL10363299 0.91 SLC7A5 (0.47) PTPN1ERAP2ERAP1LNPEPMMP8
SCHEMBL10363301 0.91 SLC7A5 (0.47) PTPN1ERAP2ERAP1LNPEPMMP8
SCHEMBL30038644 0.90 ECE1 (0.53) ECE1MMP1FCER2MMP8SLC7A5
SCHEMBL9657142 0.88 ALDH1A1 (0.53) ECE1SLC7A5ALDH1A1
SCHEMBL11697957 0.88 PTPN1 (0.48) PTPN1ERAP2ERAP1LNPEPMMP1
SCHEMBL30799510 0.88 SLC7A5 (0.44) PTPN1ERAP2ERAP1LNPEPMMP8
Hydrochloric Acid SCHEMBL23404094 0.87 ALDH1A1 (0.51) ECE1SLC7A5ALDH1A1
SCHEMBL30910780 0.85 BIRC2 (0.52) CA12CA1CA9NPY4RNPY1R

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-20240218014-A1 SYNTHESIS OF A CYCLIC PEPTIDE JANSSEN PHARMACEUTICA NV (BE) 2024-07-04 — — US disclosed
US-20240116985-A1 STAPLED PEPTIDES AND METHODS THEREOF PARABILIS MEDICINES, INC. 2024-04-11 — — 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 (2 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-20240218014-A1 SYNTHESIS OF A CYCLIC PEPTIDE VIP, QPCT, PTMS ECE1 1325/4885PTPN1 3747/4885ERAP2 412/4885
US-20240116985-A1 STAPLED PEPTIDES AND METHODS THEREOF CTNNB1, APC, CTNNA1 ECE1 1922/4885PTPN1 2414/4885ERAP2 642/4885

“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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