SCHEMBL29539999

SCHEMBL29539999

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

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BCL2A1 Q16548 2/20 0.71
▸ BID P55957 1/20 0.71
▸ KMT2A Q03164 1/20 0.67
▸ TACR3 P29371 1/20 0.61
▸ TACR1 P25103 2/20 0.61
▸ NMBR P28336 4/20 0.60
▸ ACE P12821 2/20 0.58
▸ CTSL P07711 1/20 0.58
▸ MAPT P10636 1/20 0.58
▸ MAPK1 P28482 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ BRS3 P32247 1/20 0.57

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
SCHEMBL13063740 0.89 BCL2A1 (0.68) BCL2A1BIDKMT2ATACR3TACR1
SCHEMBL6021350 0.86 CTSL (0.66) BCL2A1BIDKMT2ATACR3TACR1
SCHEMBL8999430 0.85 MAPT (0.68) BCL2A1BIDKMT2ATACR1MAPT
SCHEMBL24719147 0.85 BCL2A1 (0.64) BCL2A1BIDKMT2ATACR3TACR1
SCHEMBL13827436 0.84 MMP9 (0.69) BCL2A1BIDTACR1MAPK1SMN1; SMN2
SCHEMBL30376874 0.84 MMP9 (0.69) BCL2A1BIDTACR1MAPK1SMN1; SMN2
SCHEMBL24814079 0.84 MMP9 (0.69) BCL2A1BIDTACR1MAPK1SMN1; SMN2
SCHEMBL6019857 0.84 CTSL (0.80) BCL2A1BIDKMT2ATACR3TACR1
SCHEMBL29540087 0.84 BCL2A1 (0.80) BCL2A1BIDKMT2ATACR3TACR1
SCHEMBL29539961 0.83 ACE (0.72) ACE

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 BCL2A1 1740/4885BID 108/4885KMT2A 4608/4885
US-12415835-B2 Peptide-compound cyclization method VIP, NGLY1, GLP1R BCL2A1 1740/4885BID 108/4885KMT2A 4608/4885

“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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