SCHEMBL13533688

SCHEMBL13533688

CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)B(O)O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 1/20 0.55
▸ ACE P12821 5/20 0.55
▸ ACE2 Q9BYF1 3/20 0.55
▸ F2 P00734 5/20 0.52
▸ CTRB1 P17538 1/20 0.49
▸ PRSS1 P07477 1/20 0.49
▸ MALT1 Q9UDY8 1/20 0.47
▸ DPP4 P27487 1/20 0.46
▸ DPP8 Q6V1X1 1/20 0.46
▸ CMA1 P23946 1/20 0.46
▸ PRCP P42785 1/20 0.46
▸ PREP P48147 2/20 0.45
▸ CTSL P07711 1/20 0.44
▸ CTSS P25774 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
SCHEMBL8252248 0.95 REN (0.56) RENACEACE2F2CTRB1
SCHEMBL8165627 0.92 REN (0.55) RENACEACE2F2CTRB1
SCHEMBL13241217 0.92 REN (0.55) RENACEACE2F2CTRB1
SCHEMBL8261183 0.92 REN (0.55) RENACEACE2F2CTRB1
SCHEMBL2475863 0.92 REN (0.55) RENACEACE2F2CTRB1
SCHEMBL8255495 0.92 REN (0.55) RENACEACE2F2CTRB1
SCHEMBL8261170 0.92 REN (0.55) RENACEACE2F2CTRB1
SCHEMBL971479 0.92 REN (0.55) RENACEACE2F2CTRB1
SCHEMBL22698803 0.92 REN (0.55) RENACEACE2F2CTRB1
SCHEMBL14117862 0.89 REN (0.55) RENACEACE2F2CTRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022646-A1 METHOD OF NEUTRALISING ORGANOBORONATES WITH ACIDS TRIGEN LIMITED (GB) 2010-01-28 — — 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 (1 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-20100022646-A1 METHOD OF NEUTRALISING ORGANOBORONATES WITH ACIDS LIPC, CYP8B1, SCD REN 2004/4885ACE 1581/4885ACE2 2518/4885

“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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