SCHEMBL2133308

SCHEMBL2133308

CCCCCC(SCCCCC(C)F)C(=O)OCCC

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.40
MAPT P10636 1/20 0.39
CA1 P00915 2/20 0.33
ZDHHC7 Q9NXF8 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
ACHE P22303 3/20 0.33
FAAH O00519 1/20 0.33
SMPD1 P17405 2/20 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
SCHEMBL2135292 0.99 EPHX1 (0.42) EPHX1MAPTZDHHC7ACHEFAAH
SCHEMBL2134258 0.97 EPHX1 (0.36) EPHX1MAPTCA1ZDHHC7HDAC3
SCHEMBL2133301 0.97 MAPT (0.39) EPHX1MAPTCA1ZDHHC7HDAC3
SCHEMBL2136207 0.96 EPHX1 (0.39) EPHX1MAPTCA1ZDHHC7HDAC3
SCHEMBL2132659 0.94 EPHX1 (0.40) EPHX1MAPTCA1ZDHHC7HDAC3
SCHEMBL2133234 0.94 HDAC3 (0.38) EPHX1MAPTHDAC3HDAC4HDAC1
SCHEMBL2131636 0.93 EPHX1 (0.42) EPHX1MAPTZDHHC7ACHEFAAH
SCHEMBL2139770 0.93 EPHX1 (0.37) EPHX1MAPTZDHHC7HDAC3HDAC4
SCHEMBL2133673 0.93 EPHX1 (0.34) EPHX1MAPTCA1HDAC3HDAC4
SCHEMBL2133684 0.91 MAPT (0.39) EPHX1MAPTCA1ZDHHC7HDAC3

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 4195/4885CA1 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.