SCHEMBL5221804

SCHEMBL5221804

CC(C)(C)[Si](C)(C)OCc1ccc(-c2ccc(CI)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.35
AGXT P21549 2/20 0.35
PREP P48147 1/20 0.33
DUT P33316 2/20 0.33
BACE1 P56817 1/20 0.30

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
SCHEMBL3426875 0.95 AGXT (0.32) IDO1AGXTDUTBACE1
SCHEMBL12783776 0.83 IDO1 (0.35) IDO1AGXTPREPDUTBACE1
SCHEMBL12002628 0.83 IDO1 (0.46) IDO1AGXTPREPDUT
SCHEMBL4729100 0.81 RAB9A (0.43)
SCHEMBL6615170 0.81 BACE1 (0.36) IDO1AGXTBACE1
SCHEMBL3012099 0.80 CYP3A4 (0.50) IDO1
SCHEMBL15489965 0.78 TDP1 (0.37) AGXTDUTBACE1
SCHEMBL12855670 0.78 AGXT (0.52) IDO1AGXT
SCHEMBL906834 0.78 IDO1 (0.48) IDO1BACE1
SCHEMBL7216290 0.78 WNT3A (0.36) IDO1AGXTPREP

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
EP-1227721-B1 NOVEL SUBSTITUTED SUCCINIC ACID METALLO-BETA-LACTAMASE INHIBITORS AND THEIR USE IN TREATING BACTERIAL INFECTIONS MERCK & CO INC (US) 2007-04-04 EP disclosed
US-20030207859-A1 Novel substituted succinic acid metallo-beta-lactamase inhibitors and their use in treating bacterial infections BALKOVEC JAMES M (US) 2003-11-06 US disclosed
US-6630510-B1 Together with a beta-lactam antibiotic MERCK & CO., INC. 2003-10-07 US disclosed
US-20030078418-A1 Novel substituted succinic acid metallo-beta-lactamase inhibitors and their use in treating bacterial infections BALKOVEC JAMES M (US) 2003-04-24 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-20030078418-A1 Novel substituted succinic acid metallo-beta-lactamase inhibitors and their use in treating bacterial infections SI, ME1, ALPI IDO1 1443/4885AGXT 178/4885PREP 53/4885
US-20030207859-A1 Novel substituted succinic acid metallo-beta-lactamase inhibitors and their use in treating bacterial infections SI, ME1, ALPI IDO1 1443/4885AGXT 178/4885PREP 53/4885

“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.