SCHEMBL2133550

SCHEMBL2133550

CCCC(F)CCCSC(C)C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ZDHHC7 Q9NXF8 1/20 0.36
HDAC2 Q92769 1/20 0.32
ABCB1 P08183 1/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP2C9 P11712 1/20 0.32
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
BIRC2 Q13490 3/20 0.31
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
APOBEC3G Q9HC16 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
SCHEMBL2137778 0.89 CA1 (0.39) EPHX1CA1CA2ZDHHC7HDAC2
SCHEMBL2132443 0.88 EPHX1 (0.39) EPHX1
SCHEMBL2136010 0.86 EPHX1 (0.38) EPHX1HDAC2
SCHEMBL2138252 0.86 EPHX1 (0.38) EPHX1LMNA
SCHEMBL2133060 0.85 EPHX1 (0.37) EPHX1
SCHEMBL2134097 0.85 EPHX1 (0.41) EPHX1HDAC2ALDH1A1SMN1; SMN2HPGD
SCHEMBL2135840 0.85 CA1 (0.36) EPHX1CA1CA2ZDHHC7ABCB1
SCHEMBL2139035 0.84 CA1 (0.38) CA1CA2ZDHHC7
SCHEMBL2136125 0.84 EPHX1 (0.39) EPHX1CA1CA2ZDHHC7ABCB1
SCHEMBL2135453 0.84 CA1 (0.35) EPHX1CA1CA2ZDHHC7ABCB1

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 2018/4885CA1 617/4885CA2 737/4885

“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.