SCHEMBL8120683

SCHEMBL8120683

CN[C@@H](CCCCNC(=O)[C@H](CCCCNC(=O)[C@H](COC1OC(CO)C(O)C(O)C1NC(C)=O)NC(=O)CNC(=O)[C@H](COC1OC(CO)C(O)C(O)C1NC(C)=O)NC(=O)CCCC(=O)N[C@@H](COC1OC(CO)C(O)C(O)C1NC(C)=O)C(=O)NCC(=O)N[C@@H](COC1OC(CO)C(O)C(O)C1NC(C)=O)C(=O)NCCCC[C@H](NC)C(N)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MDK P21741 4/20 0.53
▸ FOLH1 Q04609 7/20 0.46
▸ FGF1 P05230 1/20 0.44
▸ FGF2 P09038 1/20 0.44
▸ VEGFA P15692 1/20 0.44
▸ HPSE Q9Y251 1/20 0.44
▸ PRSS1 P07477 2/20 0.42
▸ PRSS2 P07478 2/20 0.42
▸ PRSS3 P35030 2/20 0.42
▸ TPSAB1 Q15661 2/20 0.42
▸ PLG P00747 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ EGLN1 Q9GZT9 1/20 0.42
▸ KDM2A Q9Y2K7 1/20 0.42
▸ F2 P00734 1/20 0.41
▸ CAPN1 P07384 2/20 0.41
▸ PKM P14618 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL14500481 0.96 MDK (0.52) MDKFOLH1FGF1FGF2VEGFA
SCHEMBL12743545 0.95 MDK (0.53) MDKFOLH1FGF1FGF2VEGFA
SCHEMBL12767779 0.93 MDK (0.50) MDKFOLH1FGF1FGF2VEGFA
SCHEMBL8106640 0.86 FOLH1 (0.54) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL26081709 0.86 MDK (0.54) MDKFOLH1FGF1FGF2VEGFA
SCHEMBL12147669 0.85 MDK (0.50) MDKFOLH1FGF1FGF2VEGFA
SCHEMBL8115912 0.84 FOLH1 (0.61) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL8121361 0.82 FOLH1 (0.53) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL13475036 0.81 FOLH1 (0.54) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL14500455 0.80 FOLH1 (0.59) FOLH1PRSS1PRSS2PRSS3TPSAB1

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 MDK 1561/4885FOLH1 874/4885FGF1 1109/4885

“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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