SCHEMBL29540010

SCHEMBL29540010

CC(C)(S)[C@H](N)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ FNTA P49354 2/20 0.41
▸ FNTB P49356 2/20 0.41
▸ PGGT1B P53609 1/20 0.41
▸ ENPEP Q07075 13/20 0.37
▸ PMP22 Q01453 1/20 0.35
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL30861836 0.82 MAPT (0.52) ALDH1A1MAPTPTGS1
SCHEMBL29540110 0.80 DPP4 (0.33) ALDH1A1MAPTFNTAFNTBPGGT1B
SCHEMBL29379421 0.79 ALDH1A1 (0.46) ALDH1A1MAPTPTGS1PMP22KMT2A
SCHEMBL29527816 0.79 ACE (0.56) ALDH1A1MAPTPTGS1
SCHEMBL30861862 0.78 FNTA (0.48) ALDH1A1MAPTPTGS1FNTAFNTB
SCHEMBL29683631 0.78 FOLH1 (0.50) ALDH1A1MAPTPTGS1
SCHEMBL9821227 0.77 ACE (0.59) ALDH1A1MAPTFNTAFNTBPGGT1B
SCHEMBL29692973 0.77 ALDH1A1 (0.50) ALDH1A1MAPTPTGS1ENPEP
SCHEMBL30744301 0.77 ENPEP (0.40) FNTAFNTBPGGT1BENPEP
SCHEMBL29378196 0.76 ECE1 (0.51) ALDH1A1MAPTPTGS1ENPEPKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12415835-B2 Peptide-compound cyclization method CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-09-16 — — US disclosed
US-11891457-B2 Peptide-compound cyclization method CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-02-06 — — US disclosed
EP-3974563-A1 CYCLIC PEPTIDES Chugai Seiyaku Kabushiki Kaisha (JP) 2022-03-30 — — EP 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-11891457-B2 Peptide-compound cyclization method VIP, NGLY1, GLP1R ALDH1A1 4857/4885MAPT 3614/4885PTGS1 3813/4885
US-12415835-B2 Peptide-compound cyclization method VIP, NGLY1, GLP1R ALDH1A1 4857/4885MAPT 3614/4885PTGS1 3813/4885

“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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