SCHEMBL2138272

SCHEMBL2138272

CC(C)CC(SCCCCCCCF)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.38
EPHX1 P07099 1/20 0.35
RNPEP Q9H4A4 1/20 0.34
FOLH1 Q04609 1/20 0.33
CACNA2D1 P54289 2/20 0.31
CACNB3 P54284 1/20 0.31
CACNA1C Q13936 1/20 0.31
PGR P06401 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
CACNA2D2 Q9NY47 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 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
SCHEMBL2134492 1.00 SLC7A5 (0.38) SLC7A5EPHX1RNPEPFOLH1CACNA2D1
SCHEMBL2136296 1.00 SLC7A5 (0.38) SLC7A5EPHX1RNPEPFOLH1CACNA2D1
SCHEMBL2137097 0.98 SLC7A5 (0.39) SLC7A5EPHX1RNPEPFOLH1CACNA2D1
SCHEMBL2138761 0.93 RNPEP (0.36) SLC7A5EPHX1RNPEPFOLH1CACNA2D1
SCHEMBL2138038 0.83 EPHX1 (0.33) EPHX1
SCHEMBL2138414 0.83 CNR2 (0.37) EPHX1FOLH1
SCHEMBL2134353 0.83 CNR2 (0.37) EPHX1FOLH1
SCHEMBL2134921 0.83 MAPT (0.36) SLC7A5EPHX1RNPEPFOLH1
SCHEMBL2133523 0.83 MAPT (0.36) SLC7A5EPHX1RNPEPFOLH1
SCHEMBL2135972 0.83 MAPT (0.36) SLC7A5EPHX1RNPEPFOLH1

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-20120101294-A1 PROCESS FOR PRODUCING (FLUOROALKYLTHIO) ACETIC ACID ESTER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-26 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-20120101294-A1 PROCESS FOR PRODUCING (FLUOROALKYLTHIO) ACETIC ACID ESTER GRHPR, AKR7A2, FAR1 SLC7A5 1638/4885EPHX1 2018/4885RNPEP 1177/4885

“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.