SCHEMBL2137745

SCHEMBL2137745

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
EPHX1 P07099 1/20 0.34
ALOX5 P09917 4/20 0.33
CES1 P23141 5/20 0.33
CYP3A4 P08684 3/20 0.31
ALDH1A1 P00352 2/20 0.31
ALOX15 P16050 2/20 0.31
ATM Q13315 2/20 0.31
TSHR P16473 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
FAAH O00519 4/20 0.31
CES2 O00748 3/20 0.31
PLA2G6 O60733 1/20 0.31
PTGES O14684 2/20 0.31
PPARG P37231 2/20 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
SCHEMBL2137897 0.95 ZDHHC7 (0.34) CA1CA2EPHX1CES1ATM
SCHEMBL2138329 0.93 CA1 (0.36) CA1CA2EPHX1ALOX5CES1
SCHEMBL2134364 0.91 CA1 (0.35) CA1CA2EPHX1ALOX5CES1
SCHEMBL2137934 0.91 ALDH1A1 (0.33) EPHX1CYP3A4ALDH1A1ALOX15TSHR
SCHEMBL2132792 0.90 EPHX1 (0.36) CA1CA2EPHX1ALOX5CES1
SCHEMBL2136305 0.90 EPHX1 (0.36) CA1CA2EPHX1ALOX5CES1
SCHEMBL2139210 0.90 CA1 (0.36) CA1CA2EPHX1ALOX5CES1
SCHEMBL2133379 0.90 ALDH1A1 (0.37) CA1CA2EPHX1ALOX5CES1
SCHEMBL2135862 0.88 CA1 (0.35) CA1CA2EPHX1ALOX5CES1
SCHEMBL2132854 0.88 ZDHHC7 (0.33) CA1CA2EPHX1CES1ATM

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 CA1 617/4885CA2 737/4885EPHX1 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.