SCHEMBL30159321

SCHEMBL30159321

O=C(N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 4/20 0.43
▸ ACE P12821 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ F2 P00734 1/20 0.42
▸ REN P00797 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ LTA4H P09960 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ PEPD P12955 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ HRH1 P35367 1/20 0.42
▸ THPO P40225 1/20 0.42
▸ PMP22 Q01453 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ ACE2 Q9BYF1 1/20 0.42
▸ CTSB P07858 1/20 0.38

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
SCHEMBL30116355 0.93 ACE (0.43) CAPN1ACEKDM4EF2REN
SCHEMBL29649137 0.93 ACE (0.48) ACEKDM4EF2RENLMNA
SCHEMBL29380028 0.92 ACE (0.46) CAPN1ACEKDM4EF2REN
SCHEMBL29658175 0.90 CAPN1 (0.42) CAPN1RENCTSB
SCHEMBL29765255 0.89 CAPN1 (0.47) CAPN1ACEKDM4EF2REN
SCHEMBL29576017 0.87 CAPN1 (0.42) CAPN1ACEKDM4EF2REN
SCHEMBL29765170 0.85 CAPN1 (0.47) CAPN1ACEKDM4EF2REN
SCHEMBL29765176 0.85 CAPN1 (0.47) CAPN1ACEKDM4EF2REN
SCHEMBL29765258 0.85 CAPN1 (0.47) CAPN1ACEKDM4EF2REN
SCHEMBL30817465 0.85 ACE (0.52) ACEKDM4EF2RENLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230000950-A1 COMPOSITION COMPRISING GLUCAGON AND GLP-1 AND GIP RECEPTOR DUAL AGONIST AND THERAPEUTIC USE OF SAME HANMI PHARM. CO., LTD. (KR) 2023-01-05 — — 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 (1 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-20230000950-A1 COMPOSITION COMPRISING GLUCAGON AND GLP-1 AND GIP RECEPTOR DUAL AGONIST AND THERAPEUTIC USE OF SAME GLP1R, GIPR, GCGR CAPN1 4824/4885ACE 4362/4885KDM4E 4299/4885

“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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