SCHEMBL2135779

SCHEMBL2135779

CCCCC(C(=O)O)[S+]([O-])CCC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.37
MAPK1 P28482 1/20 0.37
MAPT P10636 1/20 0.35
FAAH O00519 8/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
CES1 P23141 5/20 0.33
GPR84 Q9NQS5 3/20 0.33
CES2 O00748 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
FFAR1 O14842 1/20 0.33
EPHX1 P07099 1/20 0.32

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
SCHEMBL2138085 0.90 CHRM1 (0.35) MAPT
SCHEMBL2135305 0.85
SCHEMBL2133649 0.81 CA2 (0.39) CA2MAPK1MAPTSLC1A3SLC1A2
SCHEMBL2135958 0.81 MAPT (0.41) CA2MAPK1MAPTSLC1A3SLC1A2
SCHEMBL27560251 0.80 GPR84 (0.44) CA2MAPK1MAPTCES1GPR84
SCHEMBL2137758 0.74
SCHEMBL2581534 0.74 CA2 (0.48) CA2MAPK1MAPTSLC1A3SLC1A2
SCHEMBL17255842 0.71 GPR84 (0.50) CA2MAPTSLC1A2SLC1A1GPR84
SCHEMBL28124938 0.71 CA2 (0.61) CA2MAPK1MAPTSLC1A3SLC1A2
SCHEMBL2138753 0.70 CHRM1 (0.38) MAPTSLC1A3SLC1A2SLC1A1

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.