SCHEMBL2137657

SCHEMBL2137657

CCOC(=O)C(C)SCCCC(F)(F)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.36
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
POLB P06746 2/20 0.32
METAP2 P50579 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
SCHEMBL2137877 0.95 EPHX1 (0.38) EPHX1NPSR1POLB
SCHEMBL2133385 0.94 EPHX1 (0.41) EPHX1NPSR1MAPTESR1ESR2
SCHEMBL2137969 0.91 EPHX1 (0.34) EPHX1NPSR1ALDH1A1LMNAMAPT
SCHEMBL2137637 0.90 NPSR1 (0.34) EPHX1NPSR1ALDH1A1LMNAMAPT
SCHEMBL2135423 0.90 EPHX1 (0.33) EPHX1NPSR1ALDH1A1LMNAMAPT
SCHEMBL2134753 0.88 EPHX1 (0.37) EPHX1
SCHEMBL2136359 0.87 EPHX1 (0.34) EPHX1ALDH1A1
SCHEMBL2135389 0.87 EPHX1 (0.38) EPHX1NPSR1ALDH1A1LMNAMAPT
SCHEMBL2134653 0.87 EPHX1 (0.40) EPHX1NPSR1ALDH1A1MAPTESR1
SCHEMBL2135128 0.87 EPHX1 (0.36) EPHX1NPSR1

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 2018/4885NPSR1 3120/4885ALDH1A1 41/4885

“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.