SCHEMBL2134174

SCHEMBL2134174

CCCCC(SCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)OCC

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
EPHX1 P07099 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
ALOX5 P09917 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
SCHEMBL2136262 0.96 ZDHHC7 (0.33) CA1CA2EPHX1
SCHEMBL2136906 0.96 CA1 (0.36) CA1CA2EPHX1ALDH1A1CYP3A4
SCHEMBL2133597 0.94 ALDH1A1 (0.31) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL2137302 0.92 ZDHHC7 (0.33) CA1CA2EPHX1ALDH1A1CYP3A4
SCHEMBL2134533 0.92 CA1 (0.35) CA1CA2EPHX1ALDH1A1CYP3A4
SCHEMBL2140633 0.91 CA1 (0.34) CA1CA2EPHX1
SCHEMBL2131246 0.91 CA1 (0.34) CA1CA2EPHX1ALDH1A1ALOX5
SCHEMBL2136979 0.91 CA1 (0.42) CA1CA2EPHX1
SCHEMBL2136175 0.91 CA1 (0.37) CA1CA2EPHX1ALDH1A1CYP3A4
SCHEMBL2134844 0.90 ALDH1A1 (0.31) CA1CA2ALDH1A1CYP3A4ALOX15

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 CA1 617/4885CA2 737/4885EPHX1 2018/4885

“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.