SCHEMBL2138254

SCHEMBL2138254

CCCCC(SCCCC(C)(F)F)C(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.38
CA1 P00915 3/20 0.38
EPHX1 P07099 2/20 0.33
ALOX5 P09917 1/20 0.32
CES1 P23141 1/20 0.31
MAPK1 P28482 1/20 0.31
NOD1 Q9Y239 1/20 0.31
CPB2 Q96IY4 1/20 0.31
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL2136827 0.96 CA2 (0.37) CA2CA1EPHX1ALOX5CES1
SCHEMBL2134075 0.96 CA2 (0.34) CA2CA1EPHX1CES1NOD1
SCHEMBL2135473 0.94 CA1 (0.36) CA2CA1EPHX1ALOX5CES1
SCHEMBL2136371 0.93 CA1 (0.33) CA2CA1CPB2MEN1KMT2A
SCHEMBL2133691 0.92 EPHX1 (0.35) CA2CA1EPHX1CES1NOD1
SCHEMBL2138841 0.91 EPHX1 (0.37) CA2CA1EPHX1CES1NOD1
SCHEMBL2134629 0.90 CA2 (0.37) CA2CA1EPHX1ALOX5CES1
SCHEMBL2136425 0.90 CA2 (0.37) CA2CA1EPHX1ALOX5CES1
SCHEMBL2138329 0.90 CA1 (0.36) CA2CA1EPHX1ALOX5CES1
SCHEMBL2135073 0.89 CA2 (0.49) CA2CA1EPHX1CES1MAPK1

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 CA2 737/4885CA1 617/4885EPHX1 2018/4885

“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.