SCHEMBL29429294

SCHEMBL29429294

C[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.66
▸ ECE1 P42892 9/20 0.61
▸ OPRM1 P35372 1/20 0.61
▸ OPRD1 P41143 1/20 0.61
▸ ALOX15 P16050 1/20 0.61
▸ POLB P06746 2/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ HTT P42858 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ ERAP2 Q6P179 1/20 0.59
▸ P2RY14 Q15391 1/20 0.58
▸ TP53 P04637 1/20 0.58

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
SCHEMBL9870210 1.00 ACE (0.66) ACEECE1OPRM1OPRD1ALOX15
SCHEMBL30053213 0.92 ACE (0.64) ACEECE1OPRM1OPRD1ALOX15
SCHEMBL30052764 0.90 KDM4E (0.62) ACEECE1OPRM1OPRD1ALOX15
SCHEMBL30051470 0.90 ECE1 (0.66) ACEECE1OPRM1OPRD1ALOX15
SCHEMBL30051300 0.89 ACE (0.60) ACEECE1OPRM1OPRD1ALOX15
SCHEMBL1228369 0.89 ACE (0.78) ACEECE1ALOX15
SCHEMBL2488765 0.89 ACE (0.78) ACEECE1ALOX15
SCHEMBL9235805 0.89 ACE (0.78) ACEECE1ALOX15
SCHEMBL9235801 0.89 ACE (0.78) ACEECE1ALOX15
SCHEMBL29400177 0.89 ACE (0.78) ACEECE1ALOX15

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
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-2022168894-A1 CLOTH OR PAPER ANTI-POLLUTION MATERIAL 日産化学株式会社 2022-08-11 — — WO disclosed
WO-2022092284-A1 COMPOSITION CONTAINING LIPID PEPTIDE AND SUCROSE ESTER 日産化学株式会社 2022-05-05 — — WO disclosed
WO-2022065433-A1 COSMETIC FOR HAIR 日産化学株式会社 2022-03-31 — — 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 ACE 1190/4885ECE1 1629/4885OPRM1 804/4885
US-20220387610-A1 PEPTIDE-CONJUGATED PRODRUGS VIP, DNPEP, PEPD ACE 486/4885ECE1 997/4885OPRM1 2130/4885

“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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