SCHEMBL6831579

SCHEMBL6831579

CC(C)C[C@@H](C=O)[N]C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)CCCCC1SCC2NC(=O)NC21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 2/20 0.51
▸ F2 P00734 1/20 0.42
▸ PLG P00747 1/20 0.42
▸ PRSS1 P07477 1/20 0.42
▸ PRSS2 P07478 1/20 0.42
▸ PRSS3 P35030 1/20 0.42
▸ TPSAB1 Q15661 1/20 0.42
▸ FOLH1 Q04609 3/20 0.41
▸ LCK P06239 1/20 0.40
▸ PSEN1 P49768 1/20 0.39
▸ PSEN2 P49810 1/20 0.39
▸ APH1B Q8WW43 1/20 0.39
▸ NCSTN Q92542 1/20 0.39
▸ APH1A Q96BI3 1/20 0.39
▸ PSENEN Q9NZ42 1/20 0.39
▸ TDP1 Q9NUW8 4/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ PKM P14618 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
SCHEMBL6176075 0.80 RAMP3 (0.52) APLNRRAMP3CALCR
SCHEMBL6176082 0.79 RAMP3 (0.54) NMUR2NMUR1RAMP3CALCR
SCHEMBL7113668 0.78 FOLH1 (0.50) CAPN1F2PLGPRSS1PRSS2
SCHEMBL3805702 0.74 RAMP3 (0.55) F2PIN1NMUR2NMUR1RAMP3
SCHEMBL15397863 0.72 F2 (0.52) CAPN1F2PLGPRSS1PRSS2
SCHEMBL30128547 0.71 PLG (0.47) F2PLGPRSS1PRSS2PRSS3
SCHEMBL31332171 0.71 CAPN1 (0.62) CAPN1FOLH1TDP1MEN1ABL1
SCHEMBL13708033 0.70 CAPN1 (0.59) CAPN1FOLH1PSEN1PSEN2APH1B
SCHEMBL31378057 0.70 TDP1 (0.69) CAPN1FOLH1TDP1MEN1ABL1
SCHEMBL31248180 0.70 TDP1 (0.69) CAPN1FOLH1TDP1MEN1ABL1

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-20040018561-A1 Peptide compounds and their use as protease substrates PHARMACIA CORPORATION 2004-01-29 — — 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-20040018561-A1 Peptide compounds and their use as protease substrates MMP3, MMP25, MMP11 CAPN1 354/4885F2 654/4885PLG 131/4885

“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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