SCHEMBL2134575

SCHEMBL2134575

CCCCCC(SCCCCC(F)CC)C(=O)OCC

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.36
MAPT P10636 1/20 0.36
ZDHHC7 Q9NXF8 1/20 0.33
NOD1 Q9Y239 1/20 0.33
ALOX5 P09917 3/20 0.32
PTGES O14684 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
SMPD1 P17405 3/20 0.31
FDPS P14324 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
SCHEMBL2132050 0.97 CA2 (0.35) EPHX1MAPTZDHHC7NOD1ALOX5
SCHEMBL2134910 0.97 MAPT (0.36) EPHX1MAPTZDHHC7NOD1ALOX5
SCHEMBL2138506 0.93 CA2 (0.36) EPHX1MAPTALOX5PTGESCA1
SCHEMBL2135100 0.93 CPB2 (0.31) EPHX1MAPT
SCHEMBL2138731 0.90 MAPT (0.38) EPHX1MAPTZDHHC7CA1CA2
SCHEMBL2137908 0.90 MAPT (0.38) EPHX1MAPTZDHHC7CA1CA2
SCHEMBL2134141 0.89 ZDHHC7 (0.43) EPHX1MAPTZDHHC7CA1CA2
SCHEMBL2133760 0.89 MAPT (0.36) EPHX1MAPTZDHHC7NOD1ALOX5
SCHEMBL2135377 0.88 TDP1 (0.31) CA1CA2
SCHEMBL2135709 0.88 EPHX1 (0.38) EPHX1MAPTZDHHC7NOD1SMPD1

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 2018/4885MAPT 4195/4885ZDHHC7 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.