SCHEMBL17414698

SCHEMBL17414698

N[C@H](C(=O)O)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
GRB2 P62993 1/20 0.33
SLC7A5 Q01650 1/20 0.32
PTPN1 P18031 2/20 0.31
SLC7A11 Q9UPY5 1/20 0.31
KIF11 P52732 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
SCHEMBL24489346 0.78 PTGS1 (0.44) PTGS1ALDH1A1MAPTSLC7A5SLC7A11
SCHEMBL7272092 0.78 ALDH1A1 (0.44) PTGS1ALDH1A1MAPTSLC7A5SLC7A11
SCHEMBL166753 0.77
SCHEMBL13244968 0.77
SCHEMBL202704 0.77
Hydrochloric Acid SCHEMBL19837180 0.74 PTGS1 (0.46) PTGS1ALDH1A1MAPTGRB2SLC7A5
SCHEMBL17414168 0.74 ALDH1A1 (0.52) PTGS1ALDH1A1MAPTSLC7A5
SCHEMBL21688194 0.74 ALDH1A1 (0.52) PTGS1ALDH1A1MAPTSLC7A5
SCHEMBL18774919 0.74 ALDH1A1 (0.41) PTGS1ALDH1A1MAPT
SCHEMBL23093886 0.74 ALDH1A1 (0.52) PTGS1ALDH1A1MAPTSLC7A5

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-20160002159-A1 PERFLUORO-TERT-BUTYL HYDROXYPROLINE ZONDLO NEAL (US) 2016-01-07 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-20160002159-A1 PERFLUORO-TERT-BUTYL HYDROXYPROLINE FIBP, HDGF, PLOD3 PTGS1 1512/4885ALDH1A1 1073/4885MAPT 2089/4885

“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.