SCHEMBL8434226

SCHEMBL8434226

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

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 1/20 0.56
▸ ACE P12821 9/20 0.55
▸ PRCP P42785 1/20 0.53
▸ ACE2 Q9BYF1 6/20 0.52
▸ CTRB1 P17538 1/20 0.49
▸ DPP4 P27487 2/20 0.47
▸ DPP8 Q6V1X1 2/20 0.47
▸ CMA1 P23946 1/20 0.47
▸ PREP P48147 2/20 0.47
▸ F2 P00734 1/20 0.47
▸ PRSS1 P07477 1/20 0.47
▸ ITGB3 P05106 1/20 0.47
▸ ITGA2B P08514 1/20 0.47
▸ DPP9 Q86TI2 1/20 0.46
▸ DPP7 Q9UHL4 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ TSHR P16473 1/20 0.46

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
SCHEMBL8451995 1.00 REN (0.56) RENACEPRCPACE2CTRB1
SCHEMBL14440108 0.95 REN (0.52) RENACEPRCPACE2CTRB1
SCHEMBL13533687 0.91 PRCP (0.63) RENACEPRCPACE2CTRB1
SCHEMBL7337615 0.88 ITGB3 (0.58) RENACEPRCPCMA1F2
SCHEMBL7402728 0.88 ACE (0.55) RENACEPRCPACE2CTRB1
SCHEMBL7402735 0.88 ACE (0.55) RENACEPRCPACE2CTRB1
SCHEMBL8265581 0.87 REN (0.59) RENACEACE2CTRB1DPP4
SCHEMBL8265650 0.87 REN (0.59) RENACEACE2CTRB1DPP4
SCHEMBL8261170 0.85 REN (0.55) RENACEACE2CTRB1DPP4
SCHEMBL8255495 0.85 REN (0.55) RENACEACE2CTRB1DPP4

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 3 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-7371729-B2 Boronic acid salts useful in parenteral formulations TRIGEN LIMITED (GB) 2008-05-13 — — US disclosed
US-20050282757-A1 Peptide boronic acid compounds useful in anticoagulation TRIGEN LIMITED 2005-12-22 — — 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-20100036159-A1 Peptide boronic acid inhibitors BMX, YBX1, HAX1 REN 111/4885ACE 236/4885PRCP 1264/4885
US-20050282757-A1 Peptide boronic acid compounds useful in anticoagulation SERPINC1, HABP2, F11 REN 1916/4885ACE 1655/4885PRCP 269/4885

“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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