SCHEMBL2133906

SCHEMBL2133906

CCC(F)CCCCSC(C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.42
MAPT P10636 1/20 0.38
ACE2 Q9BYF1 1/20 0.33
CA2 P00918 1/20 0.32
MAPK1 P28482 1/20 0.32
GPR84 Q9NQS5 3/20 0.32
FFAR1 O14842 1/20 0.32
LCK P06239 1/20 0.31
PPARD Q03181 1/20 0.31
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 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
SCHEMBL2136245 0.95 EPHX1 (0.40) EPHX1MAPTACE2CA2MAPK1
SCHEMBL2137810 0.84 EPHX1 (0.42) EPHX1MAPTACE2GPR84FFAR1
SCHEMBL2133661 0.84 EPHX1 (0.42) EPHX1MAPTACE2GPR84FFAR1
SCHEMBL2135816 0.83 MAPT (0.36) EPHX1MAPTACE2CA2MAPK1
SCHEMBL2139084 0.83 EPHX1 (0.42) EPHX1MAPTACE2CA2MAPK1
SCHEMBL2138988 0.83 MAPT (0.38) EPHX1MAPTCA2MAPK1GPR84
SCHEMBL2134884 0.82 EPHX1 (0.44) EPHX1MAPTACE2GPR84FFAR1
SCHEMBL2138208 0.82 EPHX1 (0.44) EPHX1MAPTACE2GPR84FFAR1
SCHEMBL2133549 0.82 EPHX1 (0.44) EPHX1MAPTACE2GPR84FFAR1
SCHEMBL2136125 0.82 EPHX1 (0.39) EPHX1CA2

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 EPHX1 2018/4885MAPT 4195/4885ACE2 1635/4885

“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.