SCHEMBL2135873

SCHEMBL2135873

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.43
ALDH1A1 P00352 2/20 0.36
ATM Q13315 1/20 0.34
CES1 P23141 5/20 0.33
FAAH O00519 4/20 0.33
CES2 O00748 4/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 2/20 0.33
PLA2G6 O60733 1/20 0.33
LPAR1 Q92633 1/20 0.32
LPAR3 Q9UBY5 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
ESR1 P03372 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 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
SCHEMBL2135091 0.99 EPHX1 (0.45) EPHX1ALDH1A1ATMCES1FAAH
SCHEMBL2137560 0.96 EPHX1 (0.41) EPHX1ALDH1A1ATMCES1FAAH
SCHEMBL2138544 0.93 EPHX1 (0.41) EPHX1CES1FAAHCES2PLA2G6
SCHEMBL2135807 0.91 EPHX1 (0.43) EPHX1CES1FAAHCES2PLA2G6
SCHEMBL2134383 0.90 EPHX1 (0.44) EPHX1ALDH1A1ATMCES1FAAH
SCHEMBL2133608 0.89 EPHX1 (0.46) EPHX1ALDH1A1ATMCES1FAAH
SCHEMBL2135706 0.89 EPHX1 (0.46) EPHX1ALDH1A1ATMCES1FAAH
SCHEMBL2136077 0.88 EPHX1 (0.38) EPHX1CA1CA2
SCHEMBL2133307 0.87 EPHX1 (0.42) EPHX1ALDH1A1ATMCES1FAAH
SCHEMBL2136838 0.87 EPHX1 (0.42) EPHX1ALDH1A1ATMCES1FAAH

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.