SCHEMBL10065572

SCHEMBL10065572

CN1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 3/20 0.48
▸ PRSS2 P07478 3/20 0.48
▸ PRSS3 P35030 3/20 0.48
▸ TPSAB1 Q15661 3/20 0.48
▸ PLG P00747 2/20 0.48
▸ F2 P00734 2/20 0.48
▸ OPRM1 P35372 1/20 0.46
▸ PKM P14618 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ EGLN1 Q9GZT9 1/20 0.44
▸ KDM2A Q9Y2K7 1/20 0.44
▸ RAMP3 O60896 2/20 0.44
▸ CALCR P30988 2/20 0.44
▸ PRKAA2 P54646 1/20 0.43
▸ PSEN1 P49768 3/20 0.43
▸ PSEN2 P49810 3/20 0.43
▸ APH1B Q8WW43 3/20 0.43
▸ NCSTN Q92542 3/20 0.43
▸ APH1A Q96BI3 3/20 0.43
▸ PSENEN Q9NZ42 3/20 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
SCHEMBL12984654 0.90 PKM (0.49) PRSS1PRSS2PRSS3TPSAB1PLG
SCHEMBL10066224 0.80 RAMP3 (0.51) PRSS1PRSS2PRSS3TPSAB1PLG
SCHEMBL17209386 0.77 FOLH1 (0.52) PRSS1PRSS2PRSS3TPSAB1PLG
SCHEMBL12429627 0.77 FOLH1 (0.52) PRSS1PRSS2PRSS3TPSAB1PLG
SCHEMBL24220346 0.73 FOLH1 (0.54) PRSS1PRSS2PRSS3TPSAB1PLG
SCHEMBL13719079 0.72 FOLH1 (0.67) PRSS1PRSS2PRSS3TPSAB1PLG
SCHEMBL22703235 0.71 OPRM1 (0.53) PRSS1PRSS2PRSS3TPSAB1PLG
SCHEMBL10065714 0.70 PRSS1 (0.50) PRSS1PRSS2PRSS3TPSAB1PLG
SCHEMBL12984158 0.70 CAPN1 (0.56) PRSS1PRSS2PRSS3TPSAB1PLG
SCHEMBL10066226 0.69 CAPN1 (0.58) PRSS1PRSS2PRSS3TPSAB1PLG

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-20120165211-A1 Human Antibodies Cross-Reacting With A Bacterial And A Self Antigen From Atherosclerotic Plaques BRACCO IMAGING S.P.A. (IT) 2012-06-28 — — 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-20120165211-A1 Human Antibodies Cross-Reacting With A Bacterial And A Self Antigen From Atherosclerotic Plaques TAGLN2, TTN, TXLNA PRSS1 2410/4885PRSS2 2765/4885PRSS3 1589/4885

“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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