SCHEMBL2788043

SCHEMBL2788043

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 4/20 0.49
PSMB8 P28062 2/20 0.44
PSMB5 P28074 2/20 0.44
KDM4E B2RXH2 4/20 0.43
HTT P42858 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.41
HMGB1 P09429 1/20 0.40
NR4A1 P22736 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
F2 P00734 1/20 0.37
UBASH3B Q8TF42 1/20 0.37
TRPA1 O75762 1/20 0.37
CTSB P07858 1/20 0.36
SLC6A9 P48067 1/20 0.36
SLC6A5 Q9Y345 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
SCHEMBL15870016 1.00 CTRB1 (0.49) CTRB1PSMB8PSMB5KDM4EHTT
SCHEMBL2789280 0.91 CTRB1 (0.51) CTRB1PSMB8PSMB5HMGB1F2
SCHEMBL13839291 0.91 CTRB1 (0.51) CTRB1PSMB8PSMB5HMGB1F2
SCHEMBL2786862 0.90 CTRB1 (0.60) CTRB1PSMB8PSMB5KDM4EALDH1A1
SCHEMBL13839315 0.90 CTRB1 (0.60) CTRB1PSMB8PSMB5KDM4EALDH1A1
SCHEMBL2787674 0.88 CTRB1 (0.49) CTRB1PSMB8PSMB5KDM4EHTT
SCHEMBL13839303 0.88 CTRB1 (0.49) CTRB1PSMB8PSMB5KDM4EHTT
SCHEMBL12944967 0.87 CTRB1 (0.51) CTRB1PSMB8PSMB5HMGB1F2
SCHEMBL18827364 0.86 CTRB1 (0.50) CTRB1PSMB8PSMB5KDM4EALDH1A1
Hydrochloric Acid SCHEMBL2769059 0.86 CTRB1 (0.50) CTRB1PSMB8PSMB5HMGB1F2

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-20100286092-A1 BETA-LACTAMASE INHIBITORS NOVARTIS INTERNATIONAL PHARMACEUTICAL, LTD. (BM) 2010-11-11 US disclosed
WO-2010056827-A1 BETA-LACTAMASE INHIBITORS PROTEZ PHARMACEUTICALS, INC. (US) 2010-05-20 WO 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 196/4885PSMB8 1092/4885PSMB5 1165/4885
US-20100286092-A1 BETA-LACTAMASE INHIBITORS GANAB, BPGM, BLVRB CTRB1 196/4885PSMB8 1092/4885PSMB5 1165/4885

“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.