SCHEMBL30052291

SCHEMBL30052291

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

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 3/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ITGB2 P05107 2/20 0.46
ICAM1 P05362 2/20 0.46
ITGAL P20701 2/20 0.46
CA2 P00918 6/20 0.44
CA1 P00915 4/20 0.44
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 1/20 0.44
CA4 P22748 1/20 0.43
TGFBR1 P36897 1/20 0.39
FOLH1 Q04609 1/20 0.36
MME P08473 1/20 0.36

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
SCHEMBL16401 1.00 ECE1 (0.50) ECE1MEN1KMT2AITGB2ICAM1
SCHEMBL7184807 1.00 ECE1 (0.50) ECE1MEN1KMT2AITGB2ICAM1
SCHEMBL5613494 0.93 ECE1 (0.53) ECE1MEN1KMT2AITGB2ICAM1
SCHEMBL7022643 0.93 ECE1 (0.53) ECE1MEN1KMT2AITGB2ICAM1
SCHEMBL618873 0.93 ECE1 (0.53) ECE1MEN1KMT2AITGB2ICAM1
SCHEMBL546997 0.93 ECE1 (0.53) ECE1MEN1KMT2AITGB2ICAM1
SCHEMBL9015921 0.87 MEN1 (0.44) ECE1MEN1KMT2AITGB2ICAM1
SCHEMBL151539 0.87 MEN1 (0.44) ECE1MEN1KMT2AITGB2ICAM1
SCHEMBL15442513 0.87 ECE1 (0.44) ECE1MEN1KMT2AITGB2ICAM1
SCHEMBL8470054 0.87 ECE1 (0.44) ECE1MEN1KMT2AITGB2ICAM1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12622975-B2 Peptide-conjugated prodrugs BRANDEIS UNIVERSITY (US) 2026-05-12 US disclosed
EP-4337270-A1 RADIOPHARMACEUTICAL SOMATOSTATIN RECEPTOR LIGANDS AND PRECURSORS THEREOF Technische Universität München (DE) 2024-03-20 EP disclosed
CN-117320759-A Radiopharmaceutical somatostatin receptor ligands and precursors thereof 慕尼黑工业大学 2023-12-29 CN disclosed
US-20220387610-A1 PEPTIDE-CONJUGATED PRODRUGS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-12-08 US disclosed
WO-2022238553-A1 RADIOPHARMACEUTICAL SOMATOSTATIN RECEPTOR LIGANDS AND PRECURSORS THEREOF Technische Universität München (DE) 2022-11-17 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 (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-12622975-B2 Peptide-conjugated prodrugs PEPD, PAM, VIP ECE1 1629/4885MEN1 1217/4885KMT2A 1801/4885
US-20220387610-A1 PEPTIDE-CONJUGATED PRODRUGS VIP, DNPEP, PEPD ECE1 997/4885MEN1 1147/4885KMT2A 4547/4885

“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.