SCHEMBL30051602

SCHEMBL30051602

NCC(=O)N[C@H](Cc1ccccc1)C(=O)NCC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 2/20 0.54
▸ CTSL P07711 1/20 0.54
▸ CTSB P07858 1/20 0.54
▸ MME P08473 5/20 0.54
▸ ACE P12821 3/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ HPGD P15428 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ ECE1 P42892 1/20 0.54
▸ BLM P54132 1/20 0.54
▸ NPEPPS P55786 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ CTSC P53634 2/20 0.52
▸ MMP2 P08253 1/20 0.51
▸ CHRNA1 P02708 1/20 0.51
▸ CHRNG P07510 1/20 0.51
▸ CHRNB1 P11230 1/20 0.51

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
SCHEMBL7587101 1.00 CTSS (0.54) CTSSCTSLCTSBMMEACE
SCHEMBL1848846 1.00 CTSS (0.54) CTSSCTSLCTSBMMEACE
SCHEMBL29789610 0.97 CTSL (0.52) CTSSCTSLCTSBMMEACE
SCHEMBL30805357 0.96 CTSL (0.51) CTSSCTSLCTSBMMEACE
SCHEMBL29385523 0.96 CTSL (0.51) CTSSCTSLCTSBMMEACE
SCHEMBL6828134 0.93 OPRD1 (0.52) CTSSCTSLCTSBMMEACE
SCHEMBL7042469 0.93 OPRD1 (0.52) CTSSCTSLCTSBMMEACE
SCHEMBL7211697 0.93 OPRD1 (0.52) CTSSCTSLCTSBMMEACE
SCHEMBL29867736 0.92 QRFPR (0.53) CTSSCTSLCTSBMMEACE
SCHEMBL21437346 0.92 OPRD1 (0.51) CTSSCTSLCTSBMMEACE

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-12622975-B2 Peptide-conjugated prodrugs BRANDEIS UNIVERSITY (US) 2026-05-12 — — US 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

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 CTSS 1516/4885CTSL 108/4885CTSB 1507/4885
US-20220387610-A1 PEPTIDE-CONJUGATED PRODRUGS VIP, DNPEP, PEPD CTSS 198/4885CTSL 14/4885CTSB 104/4885

“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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