SCHEMBL2133296

SCHEMBL2133296

CCCCCC(SCCC(F)(F)C(F)(F)F)C(=O)OC(C)C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
FAAH O00519 9/20 0.34
ZDHHC7 Q9NXF8 1/20 0.32
EPHX1 P07099 1/20 0.32
CA1 P00915 3/20 0.32
ABCB1 P08183 1/20 0.32
CES1 P23141 4/20 0.31
CES2 O00748 3/20 0.31
PLA2G6 O60733 1/20 0.31
MAPT P10636 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CA2 P00918 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
SCHEMBL2136888 0.96 LMNA (0.34) LMNAEPHX1CA1CES1CA2
SCHEMBL2135808 0.93 LMNA (0.36) LMNAFAAHZDHHC7EPHX1CA1
SCHEMBL2135941 0.92 EPHX1 (0.36) LMNAFAAHZDHHC7EPHX1CA1
SCHEMBL2135114 0.91 EPHX1 (0.38) LMNAFAAHZDHHC7EPHX1ABCB1
SCHEMBL2137021 0.90
SCHEMBL2136402 0.89 CA1 (0.36) LMNAEPHX1CA1CA2
SCHEMBL2136380 0.89 LMNA (0.38) LMNAFAAHZDHHC7EPHX1CA1
SCHEMBL2134741 0.88 CA1 (0.33) LMNAFAAHZDHHC7CA1CES1
SCHEMBL2134049 0.88 CA1 (0.36) LMNAFAAHEPHX1CA1CES1
SCHEMBL2135786 0.88 ZDHHC7 (0.42) LMNAFAAHZDHHC7CA1ABCB1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2664613-A1 Process for producing amide compounds Sumitomo Chemical Company, Limited (JP) 2013-11-20 EP disclosed
EP-2662355-A1 Process for producing a (fluoroalkylthio) acetonitrile Sumitomo Chemical Company, Limited (JP) 2013-11-13 EP disclosed
EP-2465846-A1 PROCESS FOR PREPARATION OF (FLUOROALKYLTHIO)ACETIC ACID ESTERS Sumitomo Chemical Company, Limited (JP) 2012-06-20 EP disclosed
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 LMNA 4769/4885FAAH 359/4885ZDHHC7 475/4885

“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.