SCHEMBL2787751

SCHEMBL2787751

COc1c(CC(NC(=O)c2ccc(Cl)cc2)B2OC3CC4CC(C4(C)C)C3(C)O2)cccc1C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 10/20 0.49
F2 P00734 9/20 0.48
PRSS1 P07477 6/20 0.48
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47

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
SCHEMBL2788299 0.94 PSMB5 (0.50) PSMB5F2PRSS1PSEN1PSEN2
SCHEMBL2786821 0.94 PSMB5 (0.55) PSMB5F2PRSS1PSEN1PSEN2
SCHEMBL2786801 0.92 PSMB5 (0.49) PSMB5F2PRSS1PSEN1PSEN2
SCHEMBL2873772 0.92 PSMB5 (0.51) PSMB5F2PRSS1PSEN1PSEN2
SCHEMBL2791337 0.92 F2 (0.51) PSMB5F2PRSS1PSEN1PSEN2
SCHEMBL2790264 0.91 PSMB5 (0.50) PSMB5F2PRSS1PSEN1PSEN2
SCHEMBL15862049 0.91 F2 (0.57) PSMB5F2PRSS1PSEN1PSEN2
SCHEMBL2876319 0.91 PSMB5 (0.49) PSMB5F2PRSS1PSEN1PSEN2
SCHEMBL2876320 0.90 PSMB5 (0.49) PSMB5F2PRSS1PSEN1PSEN2
SCHEMBL17337287 0.89 PSMB5 (0.54) PSMB5F2PRSS1PSEN1PSEN2

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 PSMB5 1165/4885F2 2849/4885PRSS1 1459/4885
US-20100286092-A1 BETA-LACTAMASE INHIBITORS GANAB, BPGM, BLVRB PSMB5 1165/4885F2 2849/4885PRSS1 1459/4885

“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.