SCHEMBL6693980

SCHEMBL6693980

CC(C)[C@](O)(CCc1ccc(F)c(F)c1)CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 9/20 0.40
RIPK1 Q13546 1/20 0.37
TRPV3 Q8NET8 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
DPP4 P27487 1/20 0.34
DAO P14920 1/20 0.34
CHRNA1 P02708 1/20 0.34
CHRNG P07510 1/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
SLC6A2 P23975 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CHRND Q07001 1/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
PTGS1 P23219 1/20 0.34

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
SCHEMBL6298361 1.00 SLC13A5 (0.40) SLC13A5RIPK1TRPV3MAOAMAOB
SCHEMBL6692929 1.00 SLC13A5 (0.40) SLC13A5RIPK1TRPV3MAOAMAOB
SCHEMBL6303544 0.87 SLC13A5 (0.43) SLC13A5
SCHEMBL6692548 0.84 SLC13A5 (0.44) SLC13A5FFAR1
SCHEMBL6691221 0.84 SLC13A5 (0.44) SLC13A5FFAR1
SCHEMBL6297597 0.84 SLC13A5 (0.44) SLC13A5FFAR1
SCHEMBL6692744 0.82 TAAR1 (0.41) SLC13A5RIPK1MAOBFFAR1
SCHEMBL6298495 0.82 TAAR1 (0.41) SLC13A5RIPK1MAOBFFAR1
SCHEMBL6692381 0.82 TAAR1 (0.41) SLC13A5RIPK1MAOBFFAR1
SCHEMBL6303028 0.81 SLC13A5 (0.35) 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 4373/4885RIPK1 293/4885TRPV3 3687/4885

“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.