SCHEMBL2133385

SCHEMBL2133385

CCOC(=O)C(C)SCCCCCC(F)(F)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.41
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
FAAH O00519 4/20 0.30
CES1 P23141 4/20 0.30
CES2 O00748 2/20 0.30
POLB P06746 2/20 0.30
THRB P10828 1/20 0.30
PKM P14618 1/20 0.30
PLA2G6 O60733 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 0.98 EPHX1 (0.38) EPHX1CYP4F2CYP4A11HTTNPSR1
SCHEMBL2137657 0.94 EPHX1 (0.36) EPHX1NPSR1ESR1ESR2MAPT
SCHEMBL2135128 0.90 EPHX1 (0.36) EPHX1NPSR1
SCHEMBL2136411 0.89 EPHX1 (0.42) EPHX1FAAHCES1CES2PLA2G6
SCHEMBL2133716 0.88 EPHX1 (0.42) EPHX1CYP4F2CYP4A11HTTNPSR1
SCHEMBL2135372 0.88 EPHX1 (0.42) EPHX1CYP4F2CYP4A11HTTNPSR1
SCHEMBL2134062 0.88 EPHX1 (0.39) EPHX1MEN1KMT2A
SCHEMBL2137637 0.88 NPSR1 (0.34) EPHX1NPSR1MAPTPOLB
SCHEMBL2134340 0.87 EPHX1 (0.44) EPHX1MEN1KMT2AATMFAAH
SCHEMBL2135601 0.87 EPHX1 (0.40) 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 2018/4885CYP4F2 132/4885CYP4A11 858/4885

“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.