SCHEMBL4603145

SCHEMBL4603145

CC(C)(C)[Si](OCc1ccccc1C=CC(=O)O)(c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.51
PTGER3 P43115 16/20 0.46
PTGER2 P43116 15/20 0.46
PTGER4 P35408 13/20 0.46
TBXAS1 P24557 1/20 0.45
PTGDR Q13258 5/20 0.44
TBXA2R P21731 4/20 0.44
PTGER1 P34995 7/20 0.43
PTGFR P43088 3/20 0.42
PTGIR P43119 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
NFKB1 P19838 1/20 0.41
CA4 P22748 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL4603138 1.00 BACE1 (0.51) BACE1PTGER3PTGER2PTGER4TBXAS1
SCHEMBL305026 0.87 BACE1 (0.47) BACE1TBXAS1CA1CA2HTT
SCHEMBL28566740 0.84 BACE1 (0.69) BACE1PTGER3PTGER2PTGER4TBXAS1
SCHEMBL875044 0.82 BACE1 (0.39) BACE1HTT
SCHEMBL4616887 0.80 PPARG (0.45) BACE1TBXAS1CA1CA2CA4
SCHEMBL4603142 0.80 PPARG (0.45) BACE1TBXAS1CA1CA2CA4
SCHEMBL305028 0.79 BACE1 (0.39) BACE1TBXAS1
SCHEMBL1564661 0.77 HTT (0.44) HTT
SCHEMBL8573281 0.76 PTGER3 (0.57) PTGER3PTGER2PTGER4TBXAS1PTGDR
SCHEMBL2331057 0.75 AKT1 (0.40) HTT

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-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS MEIJI SEIKA KAISHA (JP) 2016-06-02 US disclosed
US-9260375-B2 Metallo-β-lactamase inhibitors MEIJI SEIKA KAISHA, LTD. (JP) 2016-02-16 US disclosed
EP-1941873-A1 METALLO-BETA-LACTAMASE INHIBITOR MEIJI SEIKA KAISHA LTD. (JP) 2008-07-09 EP disclosed
US-20080090825-A1 Metallo-beta-lactamase inhibitors MEIJI SEIKA KAISHA, LTD. (JP) 2008-04-17 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-20080090825-A1 Metallo-beta-lactamase inhibitors ME1, MGAM, GAA BACE1 59/4885PTGER3 4646/4885PTGER2 3679/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA BACE1 77/4885PTGER3 4693/4885PTGER2 3749/4885

“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.