Sugi Predict

Sugi Predict / Compounds / SCHEMBL12247741

SCHEMBL12247741

SCHEMBL12247741

N=C(N)NCCC[C@H](NC(=O)[C@@H]1[C@@H](OCc2ccccc2)CCN1C(=O)[C@@H](CCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)c1nc2ccccc2o1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PRSS8 Q16651 2/20 0.70
▸ TGM2 P21980 4/20 0.38
▸ PRSS1 P07477 4/20 0.38
▸ PRSS2 P07478 4/20 0.38
▸ PRSS3 P35030 4/20 0.38
▸ TPSAB1 Q15661 4/20 0.38
▸ F13A1 P00488 1/20 0.37
▸ TGM1 P22735 1/20 0.37
▸ CTSS P25774 8/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ DPP4 P27487 1/20 0.37
▸ DPP8 Q6V1X1 1/20 0.37
▸ CTSL P07711 1/20 0.37
▸ CTSB P07858 1/20 0.37
▸ CTSK P43235 1/20 0.37

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
SCHEMBL12247896 0.94 PRSS8 (0.71) PRSS8TGM2PRSS1PRSS2PRSS3
SCHEMBL12247740 0.92 PRSS8 (0.83) PRSS8TGM2PRSS1PRSS2PRSS3
SCHEMBL12247755 0.92 PRSS8 (0.66) PRSS8TGM2PRSS1PRSS2PRSS3
SCHEMBL12247739 0.92 PRSS8 (0.83) PRSS8TGM2PRSS1PRSS2PRSS3
SCHEMBL12247532 0.91 PRSS8 (0.65) PRSS8TGM2PRSS1PRSS2PRSS3
SCHEMBL12247712 0.91 PRSS8 (0.64) PRSS8TGM2PRSS1PRSS2PRSS3
SCHEMBL12247732 0.87 PRSS8 (0.79) PRSS8PRSS1PRSS2PRSS3TPSAB1
SCHEMBL8230297 0.87 PRSS8 (0.79) PRSS8PRSS1PRSS2PRSS3TPSAB1
SCHEMBL8230740 0.84 PRSS8 (0.78) PRSS8PRSS1PRSS2PRSS3TPSAB1
SCHEMBL14326325 0.84 PRSS8 (0.58) PRSS8CTSSCYP3A4CYP2C9

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 6 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
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 2/4885TGM2 2442/4885PRSS1 1/4885
US-20070275906-A1 Compounds and Compositions as Channel Activating Protease Inhibitors PRSS1, PRSS8, PRSS2 PRSS8 2/4885TGM2 2442/4885PRSS1 1/4885

“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.