SCHEMBL16119445

SCHEMBL16119445

O=C(O)c1cccc2c1OB(O)[C@@H](NC(=O)C1CCNCC1)C2

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ DHODH Q02127 1/20 0.35
▸ F10 P00742 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ MTNR1A P48039 1/20 0.33
▸ MTNR1B P49286 1/20 0.33
▸ CASP3 P42574 1/20 0.32
▸ SENP8 Q96LD8 1/20 0.32
▸ SENP7 Q9BQF6 1/20 0.32
▸ SENP6 Q9GZR1 1/20 0.32
▸ SIRT5 Q9NXA8 1/20 0.32
▸ NAMPT P43490 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ PRKCQ Q04759 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ PARP1 P09874 1/20 0.31

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
SCHEMBL17457731 1.00 SIRT2 (0.36) SIRT2DHODHF10POLBPIM1
SCHEMBL17457730 0.89 PARP1 (0.32) MTNR1AMTNR1BPARP1
SCHEMBL16119466 0.89 PARP1 (0.32) MTNR1AMTNR1BPARP1
SCHEMBL15778772 0.87 MTNR1A (0.35) MTNR1AMTNR1BCASP3SENP8SENP7
SCHEMBL15778775 0.87 MTNR1A (0.35) MTNR1AMTNR1BCASP3SENP8SENP7
SCHEMBL15778773 0.87 MTNR1A (0.35) MTNR1AMTNR1BCASP3SENP8SENP7
SCHEMBL15777934 0.84 F11 (0.36) MTNR1AMTNR1BCASP3SENP8SENP7
SCHEMBL15777932 0.84 F11 (0.36) MTNR1AMTNR1BCASP3SENP8SENP7
SCHEMBL15777935 0.84 F11 (0.36) MTNR1AMTNR1BCASP3SENP8SENP7
SCHEMBL17457739 0.84 CHRM1 (0.35) PIM1PIM2NAMPTCHRM1CHRM3

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-10294248-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2019-05-21 — — US disclosed
US-9944658-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2018-04-17 — — US disclosed
US-20160024121-A1 BETA-LACTAMASE INHIBITORS VenatoRx Pharmaceuticals, Inc. 2016-01-28 — — US disclosed
WO-2014151958-A1 BETA-LACTAMASE INHIBITORS VenatoRx Pharmaceuticals, Inc. (US) 2014-09-25 — — 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-10294248-B2 Beta-lactamase inhibitors MGAM, GAA, LCT SIRT2 3060/4885DHODH 762/4885F10 3404/4885
US-20160024121-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT SIRT2 3060/4885DHODH 762/4885F10 3404/4885

“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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