SCHEMBL14129124

SCHEMBL14129124

CC(C)(C)[S@@+]([O-])N[C@]1(C(F)(F)CO)CC(c2ccccc2)Oc2ccc(Br)cc21

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.37

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
SCHEMBL14129110 0.86 AKR1B1 (0.40) AKR1B1
SCHEMBL14129140 0.85 AKR1B1 (0.33) AKR1B1
SCHEMBL14053869 0.84 AKR1B1 (0.37) AKR1B1
SCHEMBL14053868 0.84 AKR1B1 (0.37) AKR1B1
SCHEMBL14129109 0.78
SCHEMBL14053922 0.77 AKR1B1 (0.43) AKR1B1
SCHEMBL14053664 0.77 AKR1B1 (0.43) AKR1B1
SCHEMBL14129134 0.77 BACE1 (0.35) AKR1B1
SCHEMBL1820053 0.77 AKR1B1 (0.41) AKR1B1
SCHEMBL14129127 0.73 KDM1A (0.33)

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-9079919-B2 Spiro-[1,3]-oxazines and spiro-[1,4]-oxazepines as BACE1 and/or BACE2 inhibitors HOFFMANN-LA ROCHE INC. (US) 2015-07-14 US disclosed
US-20120302549-A1 SPIRO-[1,3]-OXAZINES AND SPIRO-[1,4]-OXAZEPINES AS BACE1 AND/OR BACE2 INHIBITORS HOFFMANN-LA ROCHE INC. 2012-11-29 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 (1 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-20120302549-A1 SPIRO-[1,3]-OXAZINES AND SPIRO-[1,4]-OXAZEPINES AS BACE1 AND/OR BACE2 INHIBITORS BACE1, BACE2, PSEN1 AKR1B1 115/4885

“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.