SCHEMBL2134244

SCHEMBL2134244

COC(=O)C(C)SCCCC(C)F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
EPHX1 P07099 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
ZDHHC7 Q9NXF8 1/20 0.33
CYP2C9 P11712 1/20 0.31
MIF P14174 1/20 0.31
FOLH1 Q04609 1/20 0.31
HTT P42858 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
SCHEMBL2135758 0.95 EPHX1 (0.39) ALDH1A1EPHX1KDM4EHPGDAPOBEC3G
SCHEMBL2132690 0.93 EPHX1 (0.41) ALDH1A1EPHX1KDM4EHPGDAPOBEC3G
SCHEMBL2137778 0.85 CA1 (0.39) ALDH1A1EPHX1KDM4EHPGDAPOBEC3G
SCHEMBL2136559 0.84 EPHX1 (0.39) ALDH1A1EPHX1KDM4EHPGDAPOBEC3G
SCHEMBL2132187 0.84 EPHX1 (0.39) ALDH1A1EPHX1KDM4E
SCHEMBL2136249 0.84 EPHX1 (0.35) EPHX1
SCHEMBL2133550 0.83 EPHX1 (0.39) ALDH1A1EPHX1KDM4EHPGDAPOBEC3G
SCHEMBL2132945 0.83 SMN1; SMN2 (0.33) ALDH1A1SMN1; SMN2CA1CA2ZDHHC7
SCHEMBL2138245 0.83 EPHX1 (0.41) ALDH1A1EPHX1KDM4EHPGDAPOBEC3G
SCHEMBL2136389 0.83 TSHR (0.34) ALDH1A1EPHX1

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 ALDH1A1 41/4885EPHX1 2018/4885KDM4E 4157/4885

“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.