SCHEMBL8121361

SCHEMBL8121361

CC(=O)CN[C@@H](CCCCNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)CCCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCCCC[C@H](NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)NCCCC[C@H](NCC(C)=O)C(N)=O)C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 8/20 0.53
▸ PKM P14618 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ EGLN1 Q9GZT9 1/20 0.48
▸ KDM2A Q9Y2K7 1/20 0.48
▸ PRSS1 P07477 2/20 0.47
▸ PRSS2 P07478 2/20 0.47
▸ PRSS3 P35030 2/20 0.47
▸ TPSAB1 Q15661 2/20 0.47
▸ F2 P00734 1/20 0.47
▸ PLG P00747 1/20 0.47
▸ CNR1 P21554 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ CAPN1 P07384 2/20 0.46
▸ PTPN2 P17706 1/20 0.43
▸ PTPN1 P18031 1/20 0.43
▸ HSP90AB1 P08238 1/20 0.43
▸ CNR2 P34972 1/20 0.43

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
SCHEMBL14500455 0.94 FOLH1 (0.59) FOLH1PKMKDM4EEGLN1KDM2A
SCHEMBL8106640 0.94 FOLH1 (0.54) FOLH1PKMKDM4EEGLN1KDM2A
SCHEMBL13475036 0.93 FOLH1 (0.54) FOLH1PKMKDM4EEGLN1KDM2A
SCHEMBL14422376 0.89 FOLH1 (0.52) FOLH1PKMKDM4EEGLN1KDM2A
SCHEMBL8115912 0.87 FOLH1 (0.61) FOLH1PKMKDM4EEGLN1KDM2A
SCHEMBL14500481 0.87 MDK (0.52) FOLH1PKMKDM4EEGLN1KDM2A
SCHEMBL12767763 0.86 FOLH1 (0.61) FOLH1PKMKDM4EEGLN1KDM2A
SCHEMBL12147642 0.86 FOLH1 (0.61) FOLH1PKMKDM4EEGLN1KDM2A
SCHEMBL12972428 0.85 FOLH1 (0.59) FOLH1PKMKDM4EEGLN1KDM2A
SCHEMBL12743524 0.85 FOLH1 (0.59) FOLH1PKMKDM4EEGLN1KDM2A

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-20040210041-A1 Multimeric proteins for use in the treatment and detection of cell proliferative disorders ARBOGAST CHRISTOPHE (FR) 2004-10-21 — — 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-20040210041-A1 Multimeric proteins for use in the treatment and detection of cell proliferative disorders MKI67, TP53, VHL FOLH1 874/4885PKM 3793/4885KDM4E 4110/4885

“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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