SCHEMBL2133087

SCHEMBL2133087

CCCCOC(=O)C(CC(C)C)SCCCCC(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.35
ALDH1A1 P00352 1/20 0.34
ATM Q13315 1/20 0.33
FAAH O00519 4/20 0.31
CES1 P23141 4/20 0.31
CES2 O00748 3/20 0.31
PLA2G6 O60733 1/20 0.31
TSHR P16473 2/20 0.31
HPGD P15428 1/20 0.31
ESR1 P03372 2/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
NR1H2 P55055 1/20 0.31
RNASEL Q05823 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL2133353 0.99 EPHX1 (0.37) EPHX1ALDH1A1ATMFAAHCES1
SCHEMBL2134136 0.99 EPHX1 (0.37) EPHX1ALDH1A1ATMFAAHCES1
SCHEMBL2133586 0.96 ALDH1A1 (0.35) EPHX1ALDH1A1ATMCES1TSHR
SCHEMBL2139338 0.93 EPHX1 (0.33) EPHX1
SCHEMBL2133350 0.92 EPHX1 (0.35) EPHX1FAAHCES1CES2PLA2G6
SCHEMBL2135500 0.92 EPHX1 (0.35) EPHX1FAAHCES1CES2PLA2G6
SCHEMBL2134436 0.92 ALDH1A1 (0.36) EPHX1ALDH1A1ATMCES1CES2
SCHEMBL2133824 0.91 EPHX1 (0.34) EPHX1ALDH1A1ATMFAAHCES1
SCHEMBL2138275 0.90 EPHX1 (0.36) EPHX1ALDH1A1ATMFAAHCES1
SCHEMBL2135878 0.90 EPHX1 (0.33) EPHX1ALDH1A1ATMFAAHCES1

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 2018/4885ALDH1A1 41/4885ATM 1990/4885

“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.