SCHEMBL2139486

SCHEMBL2139486

CC(C)CC(SCCCC(F)(F)F)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.36
POLB P06746 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TSHR P16473 1/20 0.31
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 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
SCHEMBL2136846 0.96 AAK1 (0.35) AAK1POLBNPSR1TDP1TSHR
SCHEMBL2135003 0.94 AAK1 (0.34) AAK1POLBNPSR1TDP1
SCHEMBL2139129 0.94 AAK1 (0.34) AAK1POLBNPSR1TDP1
SCHEMBL2133830 0.91 POLB (0.31) AAK1POLBNPSR1TDP1TSHR
SCHEMBL2133631 0.91 AAK1 (0.37) AAK1POLBNPSR1TDP1CTSL
SCHEMBL2133797 0.89 MLYCD (0.30) POLBNPSR1TDP1
SCHEMBL2135054 0.88 EPHX1 (0.31)
SCHEMBL2134869 0.87
SCHEMBL2136365 0.87 TSHR (0.31) TSHR
SCHEMBL2135160 0.87 POLB (0.30) AAK1POLBNPSR1TDP1TSHR

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 5 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
CN-102471252-A Process for producing (fluoroalkylthio) acetic acid ester SUMITOMO CHEMICAL CO 2012-05-23 CN 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 AAK1 1018/4885POLB 3794/4885NPSR1 3120/4885

“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.