SCHEMBL2134149

SCHEMBL2134149

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

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
SMPD1 P17405 3/20 0.31
CTSK P43235 1/20 0.31
ZDHHC7 Q9NXF8 1/20 0.31
EPHX1 P07099 1/20 0.31
AAK1 Q2M2I8 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
SCHEMBL2133746 0.96 EPHX1 (0.33) CA1CA2SMPD1CTSKZDHHC7
SCHEMBL2134813 0.96 CA1 (0.36) CA1CA2CTSKEPHX1AAK1
SCHEMBL2135921 0.92 CTSK (0.33) CA1CA2SMPD1CTSKZDHHC7
SCHEMBL2133354 0.92 CA1 (0.35) CA1CA2CTSKEPHX1AAK1
SCHEMBL2136240 0.92 AAK1 (0.32) CA1CA2CTSKAAK1
SCHEMBL2135985 0.90 CA1 (0.33) CA1CA2SMPD1CTSKZDHHC7
SCHEMBL2138643 0.90 AAK1 (0.36) CA1CA2SMPD1CTSKZDHHC7
SCHEMBL2134419 0.88 LMNA (0.36) CA1ZDHHC7EPHX1FAAHCES1
SCHEMBL2135287 0.88 CTSK (0.36) CA1CA2CTSKEPHX1
SCHEMBL2134076 0.88 AAK1 (0.31) AAK1

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 737/4885SMPD1 2529/4885

“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.