SCHEMBL2133307

SCHEMBL2133307

CCCCOC(=O)C(C)SCCCCC(F)(F)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.42
ALDH1A1 P00352 1/20 0.35
ATM Q13315 1/20 0.33
FAAH O00519 4/20 0.32
CES1 P23141 4/20 0.32
CES2 O00748 3/20 0.32
PLA2G6 O60733 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
ESR1 P03372 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
SCHEMBL2134340 0.99 EPHX1 (0.44) EPHX1ALDH1A1ATMFAAHCES1
SCHEMBL2134653 0.96 EPHX1 (0.40) EPHX1ALDH1A1ATMCES1CES2
SCHEMBL2135601 0.93 EPHX1 (0.40) EPHX1
SCHEMBL2137890 0.92 EPHX1 (0.40) EPHX1ALDH1A1ATMFAAHCES1
SCHEMBL2136411 0.92 EPHX1 (0.42) EPHX1FAAHCES1CES2PLA2G6
SCHEMBL2136505 0.92 EPHX1 (0.37) EPHX1ALDH1A1ATMFAAHCES1
SCHEMBL2134753 0.89 EPHX1 (0.37) EPHX1MEN1KMT2A
SCHEMBL2134383 0.89 EPHX1 (0.44) EPHX1ALDH1A1ATMFAAHCES1
SCHEMBL2135210 0.88 EPHX1 (0.38) EPHX1ALDH1A1ATMHPGDTSHR
SCHEMBL2135706 0.87 EPHX1 (0.46) EPHX1ALDH1A1ATMFAAHCES1

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 2018/4885ALDH1A1 41/4885ATM 1990/4885

“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.