Sugi Predict

Sugi Predict / Compounds / SCHEMBL8232353

SCHEMBL8232353

SCHEMBL8232353

C=CCO[C@H]1CCN(C(=O)[C@@H](CCc2ccccc2)NC(=O)OCC2CC2)[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)c1nc2ccccc2o1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PRSS8 Q16651 2/20 0.69
▸ PRSS1 P07477 6/20 0.38
▸ PRSS2 P07478 5/20 0.38
▸ PRSS3 P35030 5/20 0.38
▸ TPSAB1 Q15661 5/20 0.38
▸ DPP4 P27487 2/20 0.37
▸ DPP8 Q6V1X1 1/20 0.37
▸ CTSS P25774 6/20 0.36
▸ ACE P12821 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CTSL P07711 1/20 0.36
▸ CTSB P07858 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ F2 P00734 1/20 0.35

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
SCHEMBL8234178 0.92 PRSS8 (0.66) PRSS8PRSS1PRSS2PRSS3TPSAB1
SCHEMBL8226724 0.90 PRSS8 (0.68) PRSS8PRSS1PRSS2PRSS3TPSAB1
SCHEMBL8224832 0.89 PRSS8 (0.62) PRSS8CTSSCYP3A4CYP2C9
SCHEMBL8234182 0.89 PRSS8 (0.67) PRSS8PRSS1PRSS2PRSS3TPSAB1
SCHEMBL8230740 0.88 PRSS8 (0.78) PRSS8PRSS1PRSS2PRSS3TPSAB1
SCHEMBL8230297 0.84 PRSS8 (0.79) PRSS8PRSS1PRSS2PRSS3TPSAB1
SCHEMBL12247732 0.84 PRSS8 (0.79) PRSS8PRSS1PRSS2PRSS3TPSAB1
SCHEMBL8230745 0.83 PRSS8 (0.70) PRSS8PRSS1PRSS2PRSS3TPSAB1
SCHEMBL12247928 0.82 PRSS8 (1.00) PRSS8PRSS1PRSS2PRSS3TPSAB1
SCHEMBL8224977 0.82 PRSS8 (0.67) PRSS8PRSS1PRSS2PRSS3TPSAB1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338469-B2 Compounds and compositions as channel activating protease inhibitors IRM LLC (BM) 2012-12-25 — — US disclosed
US-20110257077-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2011-10-20 — — US disclosed
US-7951823-B2 Compounds and compositions as channel activating protease inhibitors IRM LLC (BM) 2011-05-31 — — US disclosed
US-7951823-B2 Compounds and compositions as channel activating protease inhibitors IRM LLC (BM) 2011-05-31 — — US disclosed
WO-2007137080-A2 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2007-11-29 — — WO disclosed
US-20070275906-A1 Compounds and Compositions as Channel Activating Protease Inhibitors IRM LLC (BM) 2007-11-29 — — US disclosed
US-20070275906-A1 Compounds and Compositions as Channel Activating Protease Inhibitors IRM LLC (BM) 2007-11-29 — — 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 (2 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-20110257077-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS PRSS1, PRSS8, PRSS2 PRSS8 2/4885PRSS1 1/4885PRSS2 3/4885
US-20070275906-A1 Compounds and Compositions as Channel Activating Protease Inhibitors PRSS1, PRSS8, PRSS2 PRSS8 2/4885PRSS1 1/4885PRSS2 3/4885

“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.