SCHEMBL6692398

SCHEMBL6692398

CC(C)[C@](O)(CCc1cc(F)cc(F)c1)CC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 13/20 0.35
MAOB P27338 1/20 0.34
SLC6A3 Q01959 1/20 0.33
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
CTSD P07339 1/20 0.31
BACE1 P56817 1/20 0.31
EEF2K O00418 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
SCHEMBL6303028 1.00 SLC13A5 (0.35) SLC13A5MAOBSLC6A3CYP2C19HIF1A
SCHEMBL6297684 0.89 RXRA (0.41) SLC13A5
SCHEMBL6692744 0.86 TAAR1 (0.41) SLC13A5MAOBCYP2C19
SCHEMBL6692381 0.86 TAAR1 (0.41) SLC13A5MAOBCYP2C19
SCHEMBL6298495 0.86 TAAR1 (0.41) SLC13A5MAOBCYP2C19
SCHEMBL6297597 0.85 SLC13A5 (0.44) SLC13A5CYP2C19
SCHEMBL6692548 0.85 SLC13A5 (0.44) SLC13A5CYP2C19
SCHEMBL6691221 0.85 SLC13A5 (0.44) SLC13A5CYP2C19
SCHEMBL6298361 0.81 SLC13A5 (0.40) SLC13A5MAOBSLC6A3
SCHEMBL6693980 0.81 SLC13A5 (0.40) SLC13A5MAOBSLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040106606-A1 HIV protease inhibitors BOYER FREDERICK EARL (US) 2004-06-03 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-20040106606-A1 HIV protease inhibitors DNPEP, PREP, PEPD SLC13A5 4373/4885MAOB 2137/4885SLC6A3 2706/4885

“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.