SCHEMBL2133359

SCHEMBL2133359

CCCCC(SCCCCCC(F)F)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.35
MAPT P10636 1/20 0.34
CTSK P43235 5/20 0.33
CA2 P00918 2/20 0.33
CA1 P00915 1/20 0.33
SMPD1 P17405 3/20 0.33
CTSS P25774 1/20 0.32
ZDHHC7 Q9NXF8 1/20 0.32
FAAH O00519 2/20 0.31
CES1 P23141 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
SCHEMBL2136339 1.00 EPHX1 (0.35) EPHX1MAPTCTSKCA2CA1
SCHEMBL2138073 0.99 CA2 (0.34) EPHX1MAPTCTSKCA2CA1
SCHEMBL2134683 0.97 EPHX1 (0.38) EPHX1MAPTCA2SMPD1ZDHHC7
SCHEMBL2132127 0.97 EPHX1 (0.38) EPHX1MAPTCA2SMPD1ZDHHC7
SCHEMBL2137580 0.96 EPHX1 (0.36) EPHX1MAPTCTSKCA2CA1
SCHEMBL2136995 0.93 EPHX1 (0.33) EPHX1MAPTSMPD1
SCHEMBL2132793 0.93 EPHX1 (0.33) EPHX1MAPTSMPD1
SCHEMBL2134727 0.92 EPHX1 (0.30) EPHX1
SCHEMBL2134952 0.91 EPHX1 (0.37) EPHX1MAPTCTSKCA2CA1
SCHEMBL2133948 0.90 CA2 (0.36) CTSKCA2CA1CTSS

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 4195/4885CTSK 2835/4885

“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.