SCHEMBL2133083

SCHEMBL2133083

CCCCCC(SCCCCCC(F)F)C(=O)OCC(C)C

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.41
MAPT P10636 2/20 0.37
ZDHHC7 Q9NXF8 1/20 0.35
FAAH O00519 1/20 0.34
SMPD1 P17405 3/20 0.33
ACE2 Q9BYF1 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
GPR84 Q9NQS5 2/20 0.32

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
SCHEMBL2133600 1.00 EPHX1 (0.41) EPHX1MAPTZDHHC7FAAHSMPD1
SCHEMBL2136682 0.99 EPHX1 (0.39) EPHX1MAPTZDHHC7FAAHSMPD1
SCHEMBL2136181 0.97 EPHX1 (0.38) EPHX1MAPTZDHHC7FAAH
SCHEMBL2133309 0.97 EPHX1 (0.38) EPHX1MAPTZDHHC7FAAH
SCHEMBL2138891 0.96 EPHX1 (0.36) EPHX1MAPT
SCHEMBL2134498 0.93 EPHX1 (0.36) EPHX1MAPT
SCHEMBL2135134 0.93 EPHX1 (0.36) EPHX1MAPT
SCHEMBL2136668 0.92 EPHX1 (0.41) EPHX1MAPTZDHHC7FAAHSMPD1
SCHEMBL2134606 0.92 MAPT (0.36) EPHX1MAPTZDHHC7FAAHACE2
SCHEMBL2135373 0.92 EPHX1 (0.33) EPHX1

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.