SCHEMBL2135116

SCHEMBL2135116

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

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ZDHHC7 Q9NXF8 1/20 0.33
SMPD1 P17405 3/20 0.31
CTSK P43235 1/20 0.31
EPHX1 P07099 1/20 0.31
AAK1 Q2M2I8 1/20 0.30
ABCB1 P08183 1/20 0.30
FAAH O00519 5/20 0.30
CES1 P23141 4/20 0.30
CES2 O00748 2/20 0.30
PLA2G6 O60733 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
SCHEMBL2135380 0.96 CA1 (0.34) CA1CA2ZDHHC7SMPD1CTSK
SCHEMBL2135521 0.96 CA1 (0.39) CA1CA2CTSKEPHX1AAK1
SCHEMBL2139067 0.95 ZDHHC7 (0.35) CA1CA2ZDHHC7SMPD1EPHX1
SCHEMBL2134741 0.94 CA1 (0.33) CA1CA2ZDHHC7CTSKAAK1
SCHEMBL2135148 0.93 CA1 (0.33) CA1CA2ZDHHC7SMPD1CTSK
SCHEMBL2132094 0.92 CA1 (0.38) CA1CA2CTSKEPHX1AAK1
SCHEMBL2138417 0.92 CA1 (0.33) CA1CA2CTSKAAK1
SCHEMBL2136621 0.91 CA1 (0.33) CA1CA2ZDHHC7
SCHEMBL2138310 0.91 CA1 (0.37) CA1CA2ZDHHC7CTSKEPHX1
SCHEMBL2138643 0.90 AAK1 (0.36) CA1CA2ZDHHC7SMPD1CTSK

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 737/4885ZDHHC7 475/4885

“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.