SCHEMBL24037465

SCHEMBL24037465

CC(=O)N[C@@H](CSCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.48
▸ TDO2 P48775 1/20 0.48
▸ ICMT O60725 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ SLC17A5 Q9NRA2 1/20 0.41
▸ PAM P19021 1/20 0.41
▸ ACE P12821 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ THPO P40225 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MTNR1A P48039 3/20 0.40
▸ MTNR1B P49286 3/20 0.40
▸ CASP3 P42574 1/20 0.39

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
SCHEMBL14450386 0.86 CYP1A2 (0.39) IDO1TDO2SLC17A5ACECASP3
SCHEMBL12267407 0.85 CYP1A2 (0.40) MAPTSLC17A5ACECASP3
SCHEMBL12707836 0.85 CYP1A2 (0.40) MAPTSLC17A5ACECASP3
SCHEMBL30341699 0.83 PPARA (0.60) IDO1MAPTALDH1A1SLC17A5ACE
SCHEMBL8541445 0.83 PPARA (0.60) IDO1MAPTALDH1A1SLC17A5ACE
SCHEMBL24037243 0.83 PPARA (0.60) IDO1MAPTALDH1A1SLC17A5ACE
SCHEMBL12065748 0.83 PPARA (0.60) IDO1MAPTALDH1A1SLC17A5ACE
SCHEMBL19888241 0.83 SLC17A5 (0.58) SLC17A5CASP3
SCHEMBL12066256 0.81 SLC17A5 (0.38) IDO1TDO2SLC17A5ACECASP3
SCHEMBL14063754 0.81 PPARA (0.58) IDO1TDO2SLC17A5

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
WO-2023152347-A1 PROCESS FOR MANUFACTURING MACROCYCLIC PEPTIDES F. HOFFMANN-LA ROCHE AG (CH) 2023-08-17 — — WO disclosed
US-20210355132-A1 PREPARATION METHOD FOR ECTEINASCIDIN COMPOUND AND INTERMEDIATE THEREOF UNIVERSITÉ PARIS CITÉ (FR) 2021-11-18 — — 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-20210355132-A1 PREPARATION METHOD FOR ECTEINASCIDIN COMPOUND AND INTERMEDIATE THEREOF TMED9, EMD, ENTPD8 IDO1 951/4885TDO2 1953/4885ICMT 1594/4885

“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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