SCHEMBL3499175

SCHEMBL3499175

CC(C)(C)[Si](C)(C)O[C@@H](CBr)c1ccc(F)cc1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.37
APLNR P35414 2/20 0.33
CA2 P00918 1/20 0.32
IDO1 P14902 2/20 0.32
TDO2 P48775 2/20 0.32
SLC6A4 P31645 3/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL16843269 0.84 AOC3 (0.37) AOC3APLNRCA2IDO1TDO2
SCHEMBL5223462 0.84 AOC3 (0.37) AOC3APLNRCA2IDO1TDO2
SCHEMBL16843372 0.83 AOC3 (0.41) AOC3IDO1TDO2SLC6A4SLC6A2
SCHEMBL28449967 0.82 AOC3 (0.43) AOC3APLNRCA2IDO1TDO2
SCHEMBL15948268 0.81 AOC3 (0.39) AOC3APLNRCA2IDO1TDO2
SCHEMBL27933551 0.81 CA2 (0.36) AOC3CA2IDO1TDO2SLC6A4
SCHEMBL12385546 0.80 CA2 (0.30) CA2
SCHEMBL20854970 0.80 AOC3 (0.35) AOC3APLNRCA2SLC6A2
SCHEMBL20640965 0.80 AOC3 (0.35) AOC3APLNRCA2SLC6A4SLC6A2
SCHEMBL15957314 0.80 AOC3 (0.35) AOC3CA2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9926269-B2 Beta-lactam cholesterol absorption inhibitors RUDJER BOSKOVIC INSTITUTE (HR) 2018-03-27 US disclosed
US-9926269-B2 Beta-lactam cholesterol absorption inhibitors RUDJER BOSKOVIC INSTITUTE (HR) 2018-03-27 US disclosed
US-20160355473-A1 BETA-LACTAM CHOLESTEROL ABSORPTION INHIBITORS RUDJER BOSKOVIC INSTITUTE (HR) 2016-12-08 US disclosed
US-20160355473-A1 BETA-LACTAM CHOLESTEROL ABSORPTION INHIBITORS RUDJER BOSKOVIC INSTITUTE (HR) 2016-12-08 US disclosed
US-20160355473-A1 BETA-LACTAM CHOLESTEROL ABSORPTION INHIBITORS RUDJER BOSKOVIC INSTITUTE (HR) 2016-12-08 US disclosed
US-20100125059-A1 1-BIARYLAZETIDINONE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2010-05-20 US disclosed
US-20100125059-A1 1-BIARYLAZETIDINONE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2010-05-20 US disclosed
EP-2133347-A1 1-BIARYLAZETIDINONE DERIVATIVES Teijin Pharma Limited (JP) 2009-12-16 EP 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-20160355473-A1 BETA-LACTAM CHOLESTEROL ABSORPTION INHIBITORS PCSK9, CETP, NPC1L1 AOC3 4295/4885APLNR 3209/4885CA2 3476/4885
US-20100125059-A1 1-BIARYLAZETIDINONE DERIVATIVE PCSK9, CYP46A1, HMGCR AOC3 3723/4885APLNR 3555/4885CA2 2690/4885

“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.