SCHEMBL2789280

SCHEMBL2789280

O=C(N[C@@H](Cc1cccc(C(=O)O)c1O)B(O)O)c1ccc(O)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 6/20 0.51
HMGB1 P09429 1/20 0.42
PRKCB P05771 2/20 0.40
PRKCA P17252 2/20 0.40
PRKCH P24723 2/20 0.40
PRKCD Q05655 2/20 0.40
PRKCG P05129 1/20 0.40
F2 P00734 1/20 0.38
PSMB5 P28074 3/20 0.37
PSMB8 P28062 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MPO P05164 1/20 0.36
CYP3A4 P08684 1/20 0.36
KDM5A P29375 1/20 0.36
BLM P54132 1/20 0.36
GFER P55789 1/20 0.36
PMP22 Q01453 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL13839291 1.00 CTRB1 (0.51) CTRB1HMGB1PRKCBPRKCAPRKCH
SCHEMBL13839315 0.93 CTRB1 (0.60) CTRB1HMGB1F2PSMB5PSMB8
SCHEMBL2786862 0.93 CTRB1 (0.60) CTRB1HMGB1F2PSMB5PSMB8
SCHEMBL2788043 0.91 CTRB1 (0.49) CTRB1HMGB1F2PSMB5PSMB8
SCHEMBL13839303 0.91 CTRB1 (0.49) CTRB1HMGB1F2PSMB5PSMB8
SCHEMBL15870016 0.91 CTRB1 (0.49) CTRB1HMGB1F2PSMB5PSMB8
SCHEMBL2787674 0.91 CTRB1 (0.49) CTRB1HMGB1F2PSMB5PSMB8
SCHEMBL12944967 0.90 CTRB1 (0.51) CTRB1HMGB1F2PSMB5PSMB8
SCHEMBL18827364 0.89 CTRB1 (0.50) CTRB1HMGB1PSMB5PSMB8
Hydrochloric Acid SCHEMBL2769059 0.89 CTRB1 (0.50) CTRB1HMGB1F2PSMB5PSMB8

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-20100286092-A1 BETA-LACTAMASE INHIBITORS NOVARTIS INTERNATIONAL PHARMACEUTICAL, LTD. (BM) 2010-11-11 US disclosed
US-20100120715-A1 BETA-LACTAMASE INHIBITORS PROTEZ PHARMACEUTICALS, INC. 2010-05-13 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-20100120715-A1 BETA-LACTAMASE INHIBITORS GANAB, BPGM, BLVRB CTRB1 196/4885HMGB1 1428/4885PRKCB 785/4885
US-20100286092-A1 BETA-LACTAMASE INHIBITORS GANAB, BPGM, BLVRB CTRB1 196/4885HMGB1 1428/4885PRKCB 785/4885

“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.