SCHEMBL2138679

SCHEMBL2138679

CCCCCC(SCCCC(C)(F)F)C(=O)OCCCC

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ATM Q13315 1/20 0.33
CES2 O00748 4/20 0.32
ZDHHC7 Q9NXF8 1/20 0.32
EPHX1 P07099 1/20 0.32
NAAA Q02083 1/20 0.32
FAAH O00519 4/20 0.31
CES1 P23141 4/20 0.31
PLA2G6 O60733 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
LPAR1 Q92633 1/20 0.30
LPAR3 Q9UBY5 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
SCHEMBL2133826 0.96 EPHX1 (0.34) ALDH1A1MAPTCA1CA2ATM
SCHEMBL2136425 0.96 CA2 (0.37) ALDH1A1CA1CA2ATMEPHX1
SCHEMBL2138748 0.95 EPHX1 (0.36) ALDH1A1MAPTCA1CA2CES2
SCHEMBL2134451 0.95 MAPT (0.34) MAPTCA1CA2CES2ZDHHC7
SCHEMBL2132170 0.93 ALDH1A1 (0.35) ALDH1A1CA1CA2ATMCES1
SCHEMBL2134980 0.92 CA1 (0.36) ALDH1A1CA1CA2ATMCES2
SCHEMBL2136930 0.91 EPHX1 (0.34) MAPTCA1CA2CES2ZDHHC7
SCHEMBL2135995 0.91 CA1 (0.36) ALDH1A1MAPTCA1CA2ATM
SCHEMBL2134075 0.90 CA2 (0.34) MAPTCA1CA2ATMCES2
SCHEMBL2134629 0.90 CA2 (0.37) CA1CA2EPHX1CES1

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 ALDH1A1 41/4885MAPT 4195/4885CA1 617/4885

“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.