SCHEMBL2135758

SCHEMBL2135758

COC(=O)C(C)SCCCCC(C)F

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.39
ALDH1A1 P00352 2/20 0.38
ZDHHC7 Q9NXF8 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ABCB1 P08183 1/20 0.31
CYP2C9 P11712 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
BIRC2 Q13490 3/20 0.30
FOLH1 Q04609 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
SCHEMBL2132690 0.98 EPHX1 (0.41) EPHX1ALDH1A1ZDHHC7KDM4EHPGD
SCHEMBL2134244 0.95 ALDH1A1 (0.39) EPHX1ALDH1A1ZDHHC7KDM4EHPGD
SCHEMBL2136559 0.90 EPHX1 (0.39) EPHX1ALDH1A1ZDHHC7KDM4EHPGD
SCHEMBL2138245 0.88 EPHX1 (0.41) EPHX1ALDH1A1ZDHHC7KDM4EHPGD
SCHEMBL2135653 0.88 EPHX1 (0.41) EPHX1ALDH1A1ZDHHC7KDM4EHPGD
SCHEMBL2136125 0.85 EPHX1 (0.39) EPHX1ALDH1A1ZDHHC7KDM4EHPGD
SCHEMBL2134191 0.85 EPHX1 (0.38) EPHX1
SCHEMBL2135856 0.85 EPHX1 (0.41) EPHX1ALDH1A1KDM4ELMNA
SCHEMBL2133893 0.83 EPHX1 (0.37) EPHX1ALDH1A1
SCHEMBL2136684 0.83 EPHX1 (0.44) EPHX1ZDHHC7

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 41/4885ZDHHC7 475/4885

“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.