SCHEMBL29533411

SCHEMBL29533411

O=C(O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 3/20 0.65
▸ ITGB2 P05107 1/20 0.62
▸ ICAM1 P05362 1/20 0.62
▸ ITGAL P20701 1/20 0.62
▸ ACE P12821 2/20 0.59
▸ ECE1 P42892 3/20 0.55

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
SCHEMBL30051684 0.96 GHSR (0.63) GHSRITGB2ICAM1ITGALACE
SCHEMBL30610088 0.96 GHSR (0.63) GHSRITGB2ICAM1ITGALACE
SCHEMBL31609182 0.96 GHSR (0.63) GHSRITGB2ICAM1ITGALACE
SCHEMBL30052886 0.96 GHSR (0.63) GHSRITGB2ICAM1ITGALACE
SCHEMBL29550930 0.96 GHSR (0.63) GHSRITGB2ICAM1ITGALACE
SCHEMBL21641802 0.96 ITGB2 (0.67) GHSRITGB2ICAM1ITGALACE
SCHEMBL29533628 0.96 ITGB2 (0.67) GHSRITGB2ICAM1ITGALACE
SCHEMBL21641801 0.96 ITGB2 (0.67) GHSRITGB2ICAM1ITGALACE
SCHEMBL29144196 0.96 ITGB2 (0.67) GHSRITGB2ICAM1ITGALACE
SCHEMBL29904257 0.96 ITGB2 (0.67) GHSRITGB2ICAM1ITGALACE

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
CN-114380889-A Humanized ACE2 polypeptide retarder as well as design and synthesis method and application thereof 中国科学院大连化学物理研究所 2022-04-22 — — CN claimed
US-12622975-B2 Peptide-conjugated prodrugs BRANDEIS UNIVERSITY (US) 2026-05-12 — — US disclosed
CN-114380889-B Humanized ACE2 polypeptide blocker and design and synthesis method and application thereof 中国科学院大连化学物理研究所 2023-11-17 — — 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
CN-114380889-A Humanized ACE2 polypeptide retarder as well as design and synthesis method and application thereof 中国科学院大连化学物理研究所 2022-04-22 — — CN 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 GHSR 429/4885ITGB2 3494/4885ICAM1 2949/4885
US-20220387610-A1 PEPTIDE-CONJUGATED PRODRUGS VIP, DNPEP, PEPD GHSR 679/4885ITGB2 3719/4885ICAM1 2371/4885

“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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