SCHEMBL30051684

SCHEMBL30051684

O=C(O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 2/20 0.63
▸ ITGB2 P05107 1/20 0.58
▸ ICAM1 P05362 1/20 0.58
▸ ITGAL P20701 1/20 0.58
▸ LTA4H P09960 1/20 0.56
▸ ACE P12821 1/20 0.55
▸ MME P08473 1/20 0.54

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
SCHEMBL30610088 1.00 GHSR (0.63) GHSRITGB2ICAM1ITGALLTA4H
SCHEMBL30052886 1.00 GHSR (0.63) GHSRITGB2ICAM1ITGALLTA4H
SCHEMBL31609182 1.00 GHSR (0.63) GHSRITGB2ICAM1ITGALLTA4H
SCHEMBL29550930 1.00 GHSR (0.63) GHSRITGB2ICAM1ITGALLTA4H
SCHEMBL29533411 0.96 GHSR (0.65) GHSRITGB2ICAM1ITGALACE
SCHEMBL31657628 0.95 GHSR (0.58) GHSRITGB2ICAM1ITGAL
SCHEMBL29551519 0.95 GHSR (0.58) GHSRITGB2ICAM1ITGAL
SCHEMBL21641802 0.92 ITGB2 (0.67) GHSRITGB2ICAM1ITGALACE
SCHEMBL21641801 0.92 ITGB2 (0.67) GHSRITGB2ICAM1ITGALACE
SCHEMBL29904257 0.92 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 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 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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