SCHEMBL13330443

SCHEMBL13330443

COCCC[C@H](BO)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 1/20 0.55
▸ ACE P12821 9/20 0.52
▸ ACE2 Q9BYF1 6/20 0.49
▸ F2 P00734 1/20 0.49
▸ PRSS1 P07477 1/20 0.49
▸ CTRB1 P17538 1/20 0.48
▸ DPP4 P27487 2/20 0.47
▸ DPP8 Q6V1X1 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ CMA1 P23946 1/20 0.45
▸ OPRM1 P35372 1/20 0.45
▸ OPRD1 P41143 1/20 0.45
▸ OPRK1 P41145 1/20 0.45
▸ PREP P48147 2/20 0.44
▸ DPP7 Q9UHL4 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL14440148 0.96 REN (0.52) RENACEACE2F2PRSS1
SCHEMBL8265650 0.90 REN (0.59) RENACEACE2F2PRSS1
SCHEMBL8265581 0.90 REN (0.59) RENACEACE2F2PRSS1
SCHEMBL8357220 0.89 REN (0.51) RENACEACE2F2PRSS1
SCHEMBL8255495 0.87 REN (0.55) RENACEACE2F2PRSS1
SCHEMBL8261170 0.87 REN (0.55) RENACEACE2F2PRSS1
SCHEMBL2475863 0.87 REN (0.55) RENACEACE2F2PRSS1
SCHEMBL22698803 0.87 REN (0.55) RENACEACE2F2PRSS1
SCHEMBL8165627 0.87 REN (0.55) RENACEACE2F2PRSS1
SCHEMBL971479 0.87 REN (0.55) RENACEACE2F2PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113393-A1 Boronic Acid Salts PAION DEUTSCHLAND GMBH (DE) 2010-05-06 — — US disclosed
US-20080287370-A1 Boronic Acid Salts Useful in Parenteral Formulations PAION DEUTSCHLAND GMBH (DE) 2008-11-20 — — 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-20100113393-A1 Boronic Acid Salts GCG, GRPR, BPGM REN 643/4885ACE 1532/4885ACE2 1649/4885
US-20080287370-A1 Boronic Acid Salts Useful in Parenteral Formulations HBZ, BPGM, GCG REN 1099/4885ACE 2700/4885ACE2 2756/4885

“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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