SCHEMBL2133995

SCHEMBL2133995

CC(C)COC(=O)C(C)SCCCCCC(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.38
CYSLTR2 Q9NS75 1/20 0.32
CYSLTR1 Q9Y271 1/20 0.32
TSHR P16473 2/20 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
SCHEMBL2135910 1.00 EPHX1 (0.38) EPHX1CYSLTR2CYSLTR1TSHR
SCHEMBL2135070 0.98 EPHX1 (0.36) EPHX1CYSLTR2CYSLTR1TSHR
SCHEMBL2133815 0.94 TSHR (0.33) EPHX1TSHR
SCHEMBL2131665 0.90 EPHX1 (0.37) EPHX1TSHR
SCHEMBL2133213 0.88 EPHX1 (0.36) EPHX1TSHR
SCHEMBL2135269 0.88 EPHX1 (0.35) EPHX1TSHR
SCHEMBL2135356 0.87 TSHR (0.39) TSHR
SCHEMBL2135341 0.87 EPHX1 (0.34) EPHX1TSHR
SCHEMBL2133716 0.86 EPHX1 (0.42) EPHX1CYSLTR2CYSLTR1TSHR
SCHEMBL2135372 0.86 EPHX1 (0.42) EPHX1CYSLTR2CYSLTR1TSHR

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 EPHX1 2018/4885CYSLTR2 632/4885CYSLTR1 384/4885

“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.