SCHEMBL8252248

SCHEMBL8252248

CCCC(NC(=O)C1CCCN1C(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)B(O)O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 1/20 0.56
▸ ACE P12821 7/20 0.55
▸ ACE2 Q9BYF1 5/20 0.52
▸ CTRB1 P17538 1/20 0.51
▸ F2 P00734 3/20 0.49
▸ PRSS1 P07477 1/20 0.48
▸ MALT1 Q9UDY8 1/20 0.47
▸ CMA1 P23946 1/20 0.47
▸ PREP P48147 2/20 0.47
▸ DPP4 P27487 1/20 0.46
▸ DPP8 Q6V1X1 1/20 0.46
▸ OPRM1 P35372 1/20 0.45

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
SCHEMBL13533688 0.95 REN (0.55) RENACEACE2CTRB1F2
SCHEMBL14117862 0.94 REN (0.55) RENACEACE2CTRB1F2
SCHEMBL2475863 0.90 REN (0.55) RENACEACE2CTRB1F2
SCHEMBL971479 0.90 REN (0.55) RENACEACE2CTRB1F2
SCHEMBL13241217 0.90 REN (0.55) RENACEACE2CTRB1F2
SCHEMBL8261170 0.90 REN (0.55) RENACEACE2CTRB1F2
SCHEMBL8255495 0.90 REN (0.55) RENACEACE2CTRB1F2
SCHEMBL8165627 0.90 REN (0.55) RENACEACE2CTRB1F2
SCHEMBL22698803 0.90 REN (0.55) RENACEACE2CTRB1F2
SCHEMBL8261183 0.90 REN (0.55) RENACEACE2CTRB1F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100036159-A1 Peptide boronic acid inhibitors PAION DEUTSCHLAND GMBH (DE) 2010-02-11 — — US disclosed
US-20100036159-A1 Peptide boronic acid inhibitors PAION DEUTSCHLAND GMBH (DE) 2010-02-11 — — US disclosed
EP-1466916-B1 Peptide boronic acids useful in making salts thereof TRIGEN LTD (GB) 2007-10-24 — — EP disclosed
US-20060084592-A1 Peptide boronic acid inhibitors TRIGEN LIMITED 2006-04-20 — — US disclosed
US-20060084592-A1 Peptide boronic acid inhibitors TRIGEN LIMITED 2006-04-20 — — US disclosed
US-20050282757-A1 Peptide boronic acid compounds useful in anticoagulation TRIGEN LIMITED 2005-12-22 — — US disclosed
US-20050282757-A1 Peptide boronic acid compounds useful in anticoagulation TRIGEN LIMITED 2005-12-22 — — US disclosed
WO-2005084686-A2 BORONATE MEDICAMENTS FOR PREVENTING THROMBOSIS DURING SURGERY TRIGEN LIMITED (GB) 2005-09-15 — — WO disclosed
WO-2005084685-A2 BORONATE MEDICAMENTS SUITABLE FOR SHORT DURATION ANTICOAGULATION TRIGEN LIMITED (GB) 2005-09-15 — — WO 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 (3 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-20060084592-A1 Peptide boronic acid inhibitors BMX, YBX1, HAX1 REN 100/4885ACE 220/4885ACE2 817/4885
US-20100036159-A1 Peptide boronic acid inhibitors BMX, YBX1, HAX1 REN 111/4885ACE 236/4885ACE2 835/4885
US-20050282757-A1 Peptide boronic acid compounds useful in anticoagulation SERPINC1, HABP2, F11 REN 1916/4885ACE 1655/4885ACE2 1570/4885

“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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