SCHEMBL2133649

SCHEMBL2133649

CCCCC(C(=O)O)[S+]([O-])CCCF

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.39
MAPK1 P28482 1/20 0.39
MAPT P10636 1/20 0.37
GPR84 Q9NQS5 3/20 0.34
FFAR1 O14842 1/20 0.34
SLC1A2 P43004 2/20 0.34
SLC1A1 P43005 2/20 0.34
SLC1A3 P43003 1/20 0.34
LCK P06239 1/20 0.33
PPARD Q03181 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
ACE2 Q9BYF1 1/20 0.32
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 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
SCHEMBL27560251 0.86 GPR84 (0.44) CA2MAPK1MAPTGPR84FFAR1
SCHEMBL2138282 0.86 CA2 (0.31) CA2MAPK1
SCHEMBL2135958 0.83 MAPT (0.41) CA2MAPK1MAPTGPR84FFAR1
SCHEMBL2135779 0.81 CA2 (0.37) CA2MAPK1MAPTGPR84FFAR1
SCHEMBL2135436 0.77 CYP3A4 (0.31)
SCHEMBL2581534 0.76 CA2 (0.48) CA2MAPK1MAPTGPR84FFAR1
SCHEMBL2135441 0.75
SCHEMBL2133328 0.74 GABRR1 (0.31)
SCHEMBL17255842 0.74 GPR84 (0.50) CA2MAPTGPR84FFAR1SLC1A2
SCHEMBL2138753 0.72 CHRM1 (0.38) MAPTSLC1A2SLC1A1SLC1A3CHRM1

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 CA2 737/4885MAPK1 1590/4885MAPT 4195/4885

“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.