SCHEMBL2132986

SCHEMBL2132986

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CES2 O00748 3/20 0.33
ATM Q13315 1/20 0.32
FAAH O00519 4/20 0.31
CES1 P23141 4/20 0.31
PLA2G6 O60733 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
MAPT P10636 1/20 0.30
HSD17B10 Q99714 1/20 0.30
POLB P06746 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
SCHEMBL2133697 0.99 EPHX1 (0.36) EPHX1ALDH1A1CES2ATMFAAH
SCHEMBL2134500 0.96 ALDH1A1 (0.34) EPHX1ALDH1A1CES2ATMMEN1
SCHEMBL2136989 0.93 EPHX1 (0.32) EPHX1CES2
SCHEMBL2134355 0.92 EPHX1 (0.33) EPHX1ALDH1A1CES2ATM
SCHEMBL2133582 0.92 EPHX1 (0.34) EPHX1CES2FAAHCES1PLA2G6
SCHEMBL2133029 0.92 ALDH1A1 (0.35) EPHX1ALDH1A1CES2ATMCES1
SCHEMBL2135299 0.89
SCHEMBL2135731 0.89 EPHX1 (0.36) EPHX1ALDH1A1CES2ATMFAAH
SCHEMBL2134030 0.88 ALDH1A1 (0.33) EPHX1ALDH1A1ATM
SCHEMBL2132825 0.88 EPHX1 (0.35) EPHX1ALDH1A1CES2ATMFAAH

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 41/4885CES2 245/4885

“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.