SCHEMBL8257154

SCHEMBL8257154

COCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)OCc1ccccc1)B(O)O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 1/20 0.52
▸ ACE P12821 4/20 0.48
▸ F2 P00734 5/20 0.47
▸ ACE2 Q9BYF1 2/20 0.46
▸ PRSS1 P07477 1/20 0.45
▸ CTRB1 P17538 1/20 0.44
▸ CMA1 P23946 1/20 0.44
▸ DPP4 P27487 1/20 0.44
▸ DPP8 Q6V1X1 1/20 0.44
▸ OPRM1 P35372 1/20 0.43
▸ XIAP P98170 1/20 0.43
▸ P2RX7 Q99572 2/20 0.43
▸ MALT1 Q9UDY8 1/20 0.42
▸ ITGB3 P05106 1/20 0.42
▸ ITGA2B P08514 1/20 0.42
▸ ELANE P08246 1/20 0.41

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
SCHEMBL8261183 0.96 REN (0.55) RENACEF2ACE2PRSS1
SCHEMBL8165627 0.96 REN (0.55) RENACEF2ACE2PRSS1
SCHEMBL13241217 0.96 REN (0.55) RENACEF2ACE2PRSS1
SCHEMBL22698803 0.96 REN (0.55) RENACEF2ACE2PRSS1
SCHEMBL971479 0.96 REN (0.55) RENACEF2ACE2PRSS1
SCHEMBL8261170 0.96 REN (0.55) RENACEF2ACE2PRSS1
SCHEMBL2475863 0.96 REN (0.55) RENACEF2ACE2PRSS1
SCHEMBL8255495 0.96 REN (0.55) RENACEF2ACE2PRSS1
SCHEMBL30132290 0.90 REN (0.54) RENACEF2ACE2PRSS1
SCHEMBL14440148 0.88 REN (0.52) RENACEF2ACE2PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185060-A1 Boronic acid thrombin inhibitors TRIGEN LIMITED (GB) 2007-08-09 — — US disclosed
US-20070185060-A1 Boronic acid thrombin inhibitors TRIGEN LIMITED (GB) 2007-08-09 — — US disclosed
US-20050282757-A1 Peptide boronic acid compounds useful in anticoagulation TRIGEN LIMITED 2005-12-22 — — US disclosed
WO-2005084687-A2 BORONIC ACID THROMBIN INHIBITORS 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 (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-20050282757-A1 Peptide boronic acid compounds useful in anticoagulation SERPINC1, HABP2, F11 REN 1916/4885ACE 1655/4885F2 6/4885
US-20070185060-A1 Boronic acid thrombin inhibitors F2, ECE1, BCAT1 REN 1635/4885ACE 230/4885F2 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.

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