SCHEMBL2136371

SCHEMBL2136371

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

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CPB2 Q96IY4 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP3A4 P08684 2/20 0.31
ALOX15 P16050 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
TSHR P16473 1/20 0.31
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CHRM1 P11229 1/20 0.30
ADORA1 P30542 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL2139851 0.96 CYP4F2 (0.33) CA1CA2CPB2ALDH1A1CYP3A4
SCHEMBL2135723 0.94 CYP4F2 (0.35) CA1CA2CPB2CYP4F2CYP4A11
SCHEMBL2138254 0.93 CA2 (0.38) CA1CA2CPB2ALDH1A1CYP3A4
SCHEMBL2134075 0.92 CA2 (0.34) CA1CA2CPB2MEN1KMT2A
SCHEMBL2136822 0.90 HDAC3 (0.33) CA1CA2
SCHEMBL2137936 0.90 ALDH1A1 (0.31) CA1CA2ALDH1A1CYP3A4ALOX15
SCHEMBL2132170 0.89 ALDH1A1 (0.35) CA1CA2ALDH1A1TSHR
SCHEMBL2136827 0.89 CA2 (0.37) CA1CA2CYP4F2CYP4A11MEN1
SCHEMBL2140578 0.88 CA1 (0.42) CA1CA2
SCHEMBL2137106 0.87 CA1 (0.30) CA1CA2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 737/4885CPB2 2545/4885

“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.