SCHEMBL22698803

SCHEMBL22698803

COCCCC(NC(=O)C1CCCN1C(=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 8/20 0.52
▸ F2 P00734 4/20 0.51
▸ ACE2 Q9BYF1 6/20 0.49
▸ CTRB1 P17538 1/20 0.48
▸ PRSS1 P07477 1/20 0.48
▸ DPP4 P27487 2/20 0.47
▸ DPP8 Q6V1X1 2/20 0.47
▸ CMA1 P23946 1/20 0.45
▸ PREP P48147 2/20 0.44
▸ DPP7 Q9UHL4 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ TSHR P16473 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
SCHEMBL8261183 1.00 REN (0.55) RENACEF2ACE2CTRB1
SCHEMBL13241217 1.00 REN (0.55) RENACEF2ACE2CTRB1
SCHEMBL971479 1.00 REN (0.55) RENACEF2ACE2CTRB1
SCHEMBL8255495 1.00 REN (0.55) RENACEF2ACE2CTRB1
SCHEMBL2475863 1.00 REN (0.55) RENACEF2ACE2CTRB1
SCHEMBL8165627 1.00 REN (0.55) RENACEF2ACE2CTRB1
SCHEMBL8261170 1.00 REN (0.55) RENACEF2ACE2CTRB1
SCHEMBL8257154 0.96 REN (0.52) RENACEF2ACE2CTRB1
SCHEMBL30132290 0.94 REN (0.54) RENACEF2ACE2CTRB1
SCHEMBL13533688 0.92 REN (0.55) RENACEF2ACE2CTRB1

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-20210317143-A9 BORONIC ESTER PRODRUGS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2021-10-14 — — US disclosed
US-20200369685-A1 BORONIC ESTER PRODRUGS AND USES THEREOF MASSACHUSETTS INST TECHNOLOGY (US) 2020-11-26 — — 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-20200369685-A1 BORONIC ESTER PRODRUGS AND USES THEREOF BRCA1, BTD, BCHE REN 2554/4885ACE 2373/4885F2 2339/4885
US-20210317143-A9 BORONIC ESTER PRODRUGS AND USES THEREOF BRCA1, BTD, BCHE REN 2554/4885ACE 2373/4885F2 2339/4885

“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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