SCHEMBL2133117

SCHEMBL2133117

CCOC(=O)C(C)SCCC(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.38
METAP2 P50579 3/20 0.33
EPHX1 P07099 1/20 0.33
ALDH1A1 P00352 6/20 0.32
MAPT P10636 3/20 0.32
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 2/20 0.32
HPGD P15428 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLB P06746 2/20 0.31
TP53 P04637 1/20 0.31
METAP1 P53582 2/20 0.31
CYP2D6 P10635 1/20 0.31
PRNP P04156 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL2135389 0.90 EPHX1 (0.38) NPSR1METAP2EPHX1ALDH1A1MAPT
SCHEMBL2134185 0.88 EPHX1 (0.40) NPSR1METAP2EPHX1ALDH1A1MAPT
SCHEMBL2135372 0.87 EPHX1 (0.42) NPSR1METAP2EPHX1ALDH1A1MAPT
SCHEMBL2133716 0.87 EPHX1 (0.42) NPSR1METAP2EPHX1ALDH1A1MAPT
SCHEMBL2134890 0.86 EPHX1 (0.34) EPHX1HSD17B10
SCHEMBL2137637 0.86 NPSR1 (0.34) NPSR1METAP2EPHX1ALDH1A1MAPT
SCHEMBL2135356 0.84 TSHR (0.39) ALDH1A1GAATSHR
SCHEMBL2135203 0.84 SMN1; SMN2 (0.36) EPHX1ALDH1A1KDM4EHPGDHTT
SCHEMBL2136729 0.83 EPHX1 (0.39) NPSR1EPHX1ALDH1A1MAPTHPGD
SCHEMBL2136914 0.83 ALDH1A1 (0.33) NPSR1METAP2EPHX1ALDH1A1KMT2A

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 NPSR1 3120/4885METAP2 1469/4885EPHX1 2018/4885

“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.